data_nef_c18563_2lvc save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 0 SER start . . 2 A 1 HIS middle . . 3 A 2 MET middle . . 4 A 3 PRO middle . false 5 A 4 VAL middle . . 6 A 5 HIS middle . . 7 A 6 ILE middle . . 8 A 7 VAL middle . . 9 A 8 ASP middle . . 10 A 9 PRO middle . true 11 A 10 ARG middle . . 12 A 11 GLU middle . . 13 A 12 HIS middle . . 14 A 13 VAL middle . . 15 A 14 PHE middle . . 16 A 15 VAL middle . . 17 A 16 HIS middle . . 18 A 17 ALA middle . . 19 A 18 ILE middle . . 20 A 19 THR middle . . 21 A 20 SER middle . . 22 A 21 GLU middle . . 23 A 22 CYS middle . . 24 A 23 VAL middle . . 25 A 24 MET middle . . 26 A 25 LEU middle . . 27 A 26 ALA middle . . 28 A 27 CYS middle . . 29 A 28 GLU middle . . 30 A 29 VAL middle . . 31 A 30 ASP middle . . 32 A 31 ARG middle . . 33 A 32 GLU middle . . 34 A 33 ASP middle . . 35 A 34 ALA middle . . 36 A 35 PRO middle . false 37 A 36 VAL middle . . 38 A 37 ARG middle . . 39 A 38 TRP middle . . 40 A 39 TYR middle . . 41 A 40 LYS middle . . 42 A 41 ASP middle . . 43 A 42 GLY middle . false 44 A 43 GLN middle . . 45 A 44 GLU middle . . 46 A 45 VAL middle . . 47 A 46 GLU middle . . 48 A 47 GLU middle . . 49 A 48 SER middle . . 50 A 49 ASP middle . . 51 A 50 PHE middle . . 52 A 51 VAL middle . . 53 A 52 VAL middle . . 54 A 53 LEU middle . . 55 A 54 GLU middle . . 56 A 55 ASN middle . . 57 A 56 GLU middle . . 58 A 57 GLY middle . false 59 A 58 PRO middle . false 60 A 59 HIS middle . . 61 A 60 ARG middle . . 62 A 61 ARG middle . . 63 A 62 LEU middle . . 64 A 63 VAL middle . . 65 A 64 LEU middle . . 66 A 65 PRO middle . false 67 A 66 ALA middle . . 68 A 67 THR middle . . 69 A 68 GLN middle . . 70 A 69 PRO middle . false 71 A 70 SER middle . . 72 A 71 ASP middle . . 73 A 72 GLY middle . false 74 A 73 GLY middle . false 75 A 74 GLU middle . . 76 A 75 PHE middle . . 77 A 76 GLN middle . . 78 A 77 CYS middle . . 79 A 78 VAL middle . . 80 A 79 ALA middle . . 81 A 80 GLY middle . false 82 A 81 ASP middle . . 83 A 82 GLU middle . . 84 A 83 CYS middle . . 85 A 84 ALA middle . . 86 A 85 TYR middle . . 87 A 86 PHE middle . . 88 A 87 THR middle . . 89 A 88 VAL middle . . 90 A 89 THR middle . . 91 A 90 ILE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 HIS HA H 1 4.685 0.030 A 1 HIS HBy H 1 3.132 0.030 A 1 HIS HBx H 1 3.053 0.030 A 1 HIS HD2 H 1 7.041 0.030 A 1 HIS CA C 13 55.856 0.400 A 1 HIS CB C 13 30.499 0.400 A 1 HIS CD2 C 13 119.553 0.400 A 2 MET HA H 1 4.724 0.030 A 2 MET HBy H 1 2.529 0.030 A 2 MET HBx H 1 2.441 0.030 A 2 MET HE% H 1 2.067 0.030 A 2 MET HG2 H 1 1.849 0.030 A 2 MET HG3 H 1 1.849 0.030 A 2 MET CA C 13 52.929 0.400 A 2 MET CB C 13 31.800 0.400 A 2 MET CE C 13 17.001 0.400 A 2 MET CG C 13 32.253 0.400 A 3 PRO HA H 1 4.371 0.030 A 3 PRO HBy H 1 2.184 0.030 A 3 PRO HBx H 1 1.686 0.030 A 3 PRO HDy H 1 3.733 0.030 A 3 PRO HDx H 1 3.610 0.030 A 3 PRO HG2 H 1 1.989 0.030 A 3 PRO HG3 H 1 1.989 0.030 A 3 PRO C C 13 175.711 0.400 A 3 PRO CA C 13 62.792 0.400 A 3 PRO CB C 13 31.942 0.400 A 3 PRO CD C 13 50.491 0.400 A 3 PRO CG C 13 27.429 0.400 A 4 VAL H H 1 7.727 0.030 A 4 VAL HA H 1 4.278 0.030 A 4 VAL HB H 1 1.773 0.030 A 4 VAL HG1% H 1 0.712 0.030 A 4 VAL HG2% H 1 0.888 0.030 A 4 VAL C C 13 171.983 0.400 A 4 VAL CA C 13 60.328 0.400 A 4 VAL CB C 13 33.298 0.400 A 4 VAL CG1 C 13 19.908 0.400 A 4 VAL CG2 C 13 22.255 0.400 A 4 VAL N N 15 120.804 0.400 A 5 HIS H H 1 8.889 0.030 A 5 HIS HA H 1 4.863 0.030 A 5 HIS HBy H 1 3.180 0.030 A 5 HIS HBx H 1 2.629 0.030 A 5 HIS HD2 H 1 7.291 0.030 A 5 HIS C C 13 173.840 0.400 A 5 HIS CA C 13 52.708 0.400 A 5 HIS CB C 13 30.540 0.400 A 5 HIS CD2 C 13 120.460 0.400 A 5 HIS N N 15 122.635 0.400 A 6 ILE H H 1 8.695 0.030 A 6 ILE HA H 1 4.098 0.030 A 6 ILE HB H 1 1.726 0.030 A 6 ILE HD1% H 1 0.605 0.030 A 6 ILE HG1y H 1 1.496 0.030 A 6 ILE HG1x H 1 0.625 0.030 A 6 ILE HG2% H 1 0.725 0.030 A 6 ILE C C 13 176.086 0.400 A 6 ILE CA C 13 61.504 0.400 A 6 ILE CB C 13 38.076 0.400 A 6 ILE CD1 C 13 12.896 0.400 A 6 ILE CG1 C 13 28.189 0.400 A 6 ILE CG2 C 13 17.835 0.400 A 6 ILE N N 15 122.457 0.400 A 7 VAL H H 1 8.806 0.030 A 7 VAL HA H 1 3.954 0.030 A 7 VAL HB H 1 1.824 0.030 A 7 VAL HG1% H 1 0.826 0.030 A 7 VAL HG2% H 1 0.679 0.030 A 7 VAL C C 13 175.250 0.400 A 7 VAL CA C 13 62.463 0.400 A 7 VAL CB C 13 32.645 0.400 A 7 VAL CG1 C 13 21.127 0.400 A 7 VAL CG2 C 13 19.882 0.400 A 7 VAL N N 15 125.951 0.400 A 8 ASP H H 1 7.497 0.030 A 8 ASP HA H 1 4.726 0.030 A 8 ASP HB2 H 1 2.669 0.030 A 8 ASP HB3 H 1 2.628 0.030 A 8 ASP C C 13 172.675 0.400 A 8 ASP CA C 13 52.396 0.400 A 8 ASP CB C 13 45.611 0.400 A 8 ASP N N 15 120.396 0.400 A 9 PRO HA H 1 5.199 0.030 A 9 PRO HBy H 1 2.455 0.030 A 9 PRO HBx H 1 2.414 0.030 A 9 PRO HD2 H 1 3.614 0.030 A 9 PRO HD3 H 1 4.055 0.030 A 9 PRO HGy H 1 1.838 0.030 A 9 PRO HGx H 1 1.778 0.030 A 9 PRO C C 13 176.269 0.400 A 9 PRO CA C 13 62.788 0.400 A 9 PRO CB C 13 34.697 0.400 A 9 PRO CD C 13 50.401 0.400 A 9 PRO CG C 13 24.331 0.400 A 10 ARG H H 1 8.861 0.030 A 10 ARG HA H 1 4.458 0.030 A 10 ARG HBy H 1 2.152 0.030 A 10 ARG HBx H 1 1.723 0.030 A 10 ARG HDy H 1 3.270 0.030 A 10 ARG HDx H 1 3.206 0.030 A 10 ARG HE H 1 7.216 0.030 A 10 ARG HGy H 1 1.758 0.030 A 10 ARG HGx H 1 1.649 0.030 A 10 ARG C C 13 175.540 0.400 A 10 ARG CA C 13 55.257 0.400 A 10 ARG CB C 13 30.208 0.400 A 10 ARG CD C 13 42.552 0.400 A 10 ARG CG C 13 26.838 0.400 A 10 ARG N N 15 117.314 0.400 A 10 ARG NE N 15 84.217 0.400 A 11 GLU H H 1 7.573 0.030 A 11 GLU HA H 1 4.692 0.030 A 11 GLU HBy H 1 2.210 0.030 A 11 GLU HBx H 1 1.989 0.030 A 11 GLU HG2 H 1 2.222 0.030 A 11 GLU HG3 H 1 2.222 0.030 A 11 GLU C C 13 175.306 0.400 A 11 GLU CA C 13 53.915 0.400 A 11 GLU CB C 13 32.390 0.400 A 11 GLU CG C 13 35.265 0.400 A 11 GLU N N 15 116.505 0.400 A 12 HIS H H 1 8.818 0.030 A 12 HIS HA H 1 4.329 0.030 A 12 HIS HBy H 1 3.127 0.030 A 12 HIS HBx H 1 3.026 0.030 A 12 HIS HD2 H 1 7.152 0.030 A 12 HIS C C 13 174.392 0.400 A 12 HIS CA C 13 55.948 0.400 A 12 HIS CB C 13 28.937 0.400 A 12 HIS CD2 C 13 119.817 0.400 A 12 HIS N N 15 122.245 0.400 A 13 VAL H H 1 8.244 0.030 A 13 VAL HA H 1 4.291 0.030 A 13 VAL HB H 1 2.032 0.030 A 13 VAL HG1% H 1 1.183 0.030 A 13 VAL HG2% H 1 1.019 0.030 A 13 VAL C C 13 174.347 0.400 A 13 VAL CA C 13 62.514 0.400 A 13 VAL CB C 13 33.919 0.400 A 13 VAL CG1 C 13 21.570 0.400 A 13 VAL CG2 C 13 21.939 0.400 A 13 VAL N N 15 129.878 0.400 A 14 PHE H H 1 9.118 0.030 A 14 PHE HA H 1 5.185 0.030 A 14 PHE HB2 H 1 3.008 0.030 A 14 PHE HB3 H 1 3.008 0.030 A 14 PHE HD1 H 1 7.302 0.030 A 14 PHE HD2 H 1 7.302 0.030 A 14 PHE HE1 H 1 7.292 0.030 A 14 PHE HE2 H 1 7.292 0.030 A 14 PHE C C 13 175.206 0.400 A 14 PHE CA C 13 57.448 0.400 A 14 PHE CB C 13 40.193 0.400 A 14 PHE CD1 C 13 131.907 0.400 A 14 PHE CD2 C 13 131.907 0.400 A 14 PHE CE1 C 13 129.562 0.400 A 14 PHE CE2 C 13 129.562 0.400 A 14 PHE N N 15 127.357 0.400 A 15 VAL H H 1 9.335 0.030 A 15 VAL HA H 1 4.375 0.030 A 15 VAL HB H 1 2.075 0.030 A 15 VAL HG1% H 1 0.935 0.030 A 15 VAL HG2% H 1 1.004 0.030 A 15 VAL C C 13 174.057 0.400 A 15 VAL CA C 13 61.355 0.400 A 15 VAL CB C 13 35.015 0.400 A 15 VAL CG1 C 13 20.767 0.400 A 15 VAL CG2 C 13 20.853 0.400 A 15 VAL N N 15 125.508 0.400 A 16 HIS H H 1 8.998 0.030 A 16 HIS HA H 1 5.417 0.030 A 16 HIS HBy H 1 3.204 0.030 A 16 HIS HBx H 1 3.074 0.030 A 16 HIS HD2 H 1 7.203 0.030 A 16 HIS C C 13 173.634 0.400 A 16 HIS CA C 13 53.954 0.400 A 16 HIS CB C 13 29.540 0.400 A 16 HIS CD2 C 13 119.513 0.400 A 16 HIS N N 15 127.768 0.400 A 17 ALA H H 1 8.622 0.030 A 17 ALA HA H 1 4.632 0.030 A 17 ALA HB% H 1 1.150 0.030 A 17 ALA C C 13 174.971 0.400 A 17 ALA CA C 13 50.396 0.400 A 17 ALA CB C 13 22.143 0.400 A 17 ALA N N 15 129.262 0.400 A 18 ILE H H 1 8.035 0.030 A 18 ILE HA H 1 4.282 0.030 A 18 ILE HB H 1 1.726 0.030 A 18 ILE HD1% H 1 0.810 0.030 A 18 ILE HG1y H 1 1.361 0.030 A 18 ILE HG1x H 1 1.121 0.030 A 18 ILE HG2% H 1 0.936 0.030 A 18 ILE C C 13 175.607 0.400 A 18 ILE CA C 13 59.194 0.400 A 18 ILE CB C 13 39.464 0.400 A 18 ILE CD1 C 13 12.378 0.400 A 18 ILE CG1 C 13 26.746 0.400 A 18 ILE CG2 C 13 17.191 0.400 A 18 ILE N N 15 118.060 0.400 A 19 THR H H 1 8.175 0.030 A 19 THR HA H 1 3.789 0.030 A 19 THR HB H 1 4.050 0.030 A 19 THR HG2% H 1 1.239 0.030 A 19 THR C C 13 175.183 0.400 A 19 THR CA C 13 64.401 0.400 A 19 THR CB C 13 68.911 0.400 A 19 THR CG2 C 13 22.240 0.400 A 19 THR N N 15 118.357 0.400 A 20 SER H H 1 9.380 0.030 A 20 SER HA H 1 3.812 0.030 A 20 SER HBx H 1 3.957 0.030 A 20 SER HBy H 1 4.204 0.030 A 20 SER C C 13 173.321 0.400 A 20 SER CA C 13 61.141 0.400 A 20 SER CB C 13 62.412 0.400 A 20 SER N N 15 118.784 0.400 A 21 GLU H H 1 8.166 0.030 A 21 GLU HA H 1 4.463 0.030 A 21 GLU HBx H 1 2.001 0.030 A 21 GLU HBy H 1 2.103 0.030 A 21 GLU HGx H 1 2.156 0.030 A 21 GLU HGy H 1 2.225 0.030 A 21 GLU C C 13 175.551 0.400 A 21 GLU CA C 13 55.587 0.400 A 21 GLU CB C 13 30.999 0.400 A 21 GLU CG C 13 36.337 0.400 A 21 GLU N N 15 121.841 0.400 A 22 CYS H H 1 8.549 0.030 A 22 CYS HA H 1 5.020 0.030 A 22 CYS HBy H 1 2.918 0.030 A 22 CYS HBx H 1 2.765 0.030 A 22 CYS C C 13 175.284 0.400 A 22 CYS CA C 13 57.038 0.400 A 22 CYS CB C 13 27.138 0.400 A 22 CYS N N 15 122.463 0.400 A 23 VAL H H 1 8.526 0.030 A 23 VAL HA H 1 4.174 0.030 A 23 VAL HB H 1 1.753 0.030 A 23 VAL HG1% H 1 0.583 0.030 A 23 VAL HG2% H 1 0.787 0.030 A 23 VAL C C 13 172.519 0.400 A 23 VAL CA C 13 61.097 0.400 A 23 VAL CB C 13 34.726 0.400 A 23 VAL CG1 C 13 20.909 0.400 A 23 VAL CG2 C 13 23.011 0.400 A 23 VAL N N 15 129.771 0.400 A 24 MET H H 1 8.267 0.030 A 24 MET HA H 1 4.956 0.030 A 24 MET HB2 H 1 1.760 0.030 A 24 MET HB3 H 1 1.760 0.030 A 24 MET HE% H 1 1.930 0.030 A 24 MET HGy H 1 2.225 0.030 A 24 MET HGx H 1 2.066 0.030 A 24 MET C C 13 173.812 0.400 A 24 MET CA C 13 53.725 0.400 A 24 MET CB C 13 35.325 0.400 A 24 MET CE C 13 16.424 0.400 A 24 MET CG C 13 31.215 0.400 A 24 MET N N 15 124.972 0.400 A 25 LEU H H 1 9.073 0.030 A 25 LEU HA H 1 4.194 0.030 A 25 LEU HB2 H 1 1.124 0.030 A 25 LEU HB3 H 1 -0.294 0.030 A 25 LEU HD1% H 1 -0.227 0.030 A 25 LEU HD2% H 1 0.270 0.030 A 25 LEU HG H 1 0.879 0.030 A 25 LEU C C 13 174.737 0.400 A 25 LEU CA C 13 52.881 0.400 A 25 LEU CB C 13 40.501 0.400 A 25 LEU CD1 C 13 24.725 0.400 A 25 LEU CD2 C 13 21.666 0.400 A 25 LEU CG C 13 25.663 0.400 A 25 LEU N N 15 126.968 0.400 A 26 ALA H H 1 8.046 0.030 A 26 ALA HA H 1 5.429 0.030 A 26 ALA HB% H 1 1.372 0.030 A 26 ALA C C 13 175.763 0.400 A 26 ALA CA C 13 51.119 0.400 A 26 ALA CB C 13 22.554 0.400 A 26 ALA N N 15 123.951 0.400 A 27 CYS H H 1 9.387 0.030 A 27 CYS HA H 1 5.429 0.030 A 27 CYS HB2 H 1 2.948 0.030 A 27 CYS HB3 H 1 2.948 0.030 A 27 CYS C C 13 172.953 0.400 A 27 CYS CA C 13 56.062 0.400 A 27 CYS CB C 13 31.322 0.400 A 27 CYS N N 15 119.136 0.400 A 28 GLU H H 1 9.525 0.030 A 28 GLU HA H 1 5.252 0.030 A 28 GLU HBy H 1 2.012 0.030 A 28 GLU HBx H 1 1.835 0.030 A 28 GLU HGy H 1 2.009 0.030 A 28 GLU HGx H 1 1.794 0.030 A 28 GLU C C 13 176.008 0.400 A 28 GLU CA C 13 54.558 0.400 A 28 GLU CB C 13 32.933 0.400 A 28 GLU CG C 13 35.657 0.400 A 28 GLU N N 15 128.022 0.400 A 29 VAL H H 1 8.692 0.030 A 29 VAL HA H 1 5.326 0.030 A 29 VAL HB H 1 2.055 0.030 A 29 VAL HG1% H 1 0.611 0.030 A 29 VAL HG2% H 1 0.823 0.030 A 29 VAL C C 13 175.785 0.400 A 29 VAL CA C 13 58.840 0.400 A 29 VAL CB C 13 34.256 0.400 A 29 VAL CG1 C 13 22.000 0.400 A 29 VAL CG2 C 13 18.108 0.400 A 29 VAL N N 15 118.752 0.400 A 30 ASP H H 1 8.596 0.030 A 30 ASP HA H 1 4.351 0.030 A 30 ASP HBy H 1 3.017 0.030 A 30 ASP HBx H 1 2.394 0.030 A 30 ASP C C 13 175.674 0.400 A 30 ASP CA C 13 54.022 0.400 A 30 ASP CB C 13 40.133 0.400 A 30 ASP N N 15 116.939 0.400 A 31 ARG H H 1 6.891 0.030 A 31 ARG HA H 1 4.629 0.030 A 31 ARG HBx H 1 1.659 0.030 A 31 ARG HBy H 1 1.868 0.030 A 31 ARG HDx H 1 3.086 0.030 A 31 ARG HDy H 1 3.221 0.030 A 31 ARG HE H 1 7.699 0.030 A 31 ARG HG2 H 1 1.631 0.030 A 31 ARG HG3 H 1 1.631 0.030 A 31 ARG C C 13 175.975 0.400 A 31 ARG CA C 13 54.401 0.400 A 31 ARG CB C 13 32.140 0.400 A 31 ARG CD C 13 43.313 0.400 A 31 ARG CG C 13 26.381 0.400 A 31 ARG N N 15 117.535 0.400 A 31 ARG NE N 15 84.985 0.400 A 32 GLU H H 1 8.889 0.030 A 32 GLU HA H 1 3.607 0.030 A 32 GLU HB2 H 1 1.920 0.030 A 32 GLU HB3 H 1 1.920 0.030 A 32 GLU HG2 H 1 2.216 0.030 A 32 GLU HG3 H 1 2.216 0.030 A 32 GLU C C 13 175.919 0.400 A 32 GLU CA C 13 59.654 0.400 A 32 GLU CB C 13 29.021 0.400 A 32 GLU CG C 13 36.318 0.400 A 32 GLU N N 15 122.133 0.400 A 33 ASP H H 1 8.353 0.030 A 33 ASP HA H 1 4.512 0.030 A 33 ASP HBy H 1 2.857 0.030 A 33 ASP HBx H 1 2.547 0.030 A 33 ASP C C 13 176.822 0.400 A 33 ASP CA C 13 52.624 0.400 A 33 ASP CB C 13 39.605 0.400 A 33 ASP N N 15 115.275 0.400 A 34 ALA H H 1 7.203 0.030 A 34 ALA HA H 1 4.514 0.030 A 34 ALA HB% H 1 1.303 0.030 A 34 ALA C C 13 175.128 0.400 A 34 ALA CA C 13 50.433 0.400 A 34 ALA CB C 13 19.530 0.400 A 34 ALA N N 15 122.962 0.400 A 35 PRO HA H 1 4.759 0.030 A 35 PRO HBy H 1 2.237 0.030 A 35 PRO HBx H 1 1.984 0.030 A 35 PRO HDy H 1 3.979 0.030 A 35 PRO HDx H 1 3.665 0.030 A 35 PRO HGy H 1 2.059 0.030 A 35 PRO HGx H 1 2.019 0.030 A 35 PRO C C 13 175.988 0.400 A 35 PRO CA C 13 61.652 0.400 A 35 PRO CB C 13 32.270 0.400 A 35 PRO CD C 13 50.561 0.400 A 35 PRO CG C 13 26.466 0.400 A 36 VAL H H 1 8.274 0.030 A 36 VAL HA H 1 5.014 0.030 A 36 VAL HB H 1 1.890 0.030 A 36 VAL HG1% H 1 0.558 0.030 A 36 VAL HG2% H 1 0.499 0.030 A 36 VAL C C 13 175.295 0.400 A 36 VAL CA C 13 58.336 0.400 A 36 VAL CB C 13 34.705 0.400 A 36 VAL CG1 C 13 21.987 0.400 A 36 VAL CG2 C 13 18.380 0.400 A 36 VAL N N 15 110.336 0.400 A 37 ARG H H 1 8.228 0.030 A 37 ARG HA H 1 4.671 0.030 A 37 ARG HBy H 1 1.633 0.030 A 37 ARG HBx H 1 1.585 0.030 A 37 ARG HD2 H 1 3.183 0.030 A 37 ARG HD3 H 1 3.183 0.030 A 37 ARG HE H 1 7.533 0.030 A 37 ARG HGy H 1 1.629 0.030 A 37 ARG HGx H 1 1.562 0.030 A 37 ARG C C 13 173.723 0.400 A 37 ARG CA C 13 55.136 0.400 A 37 ARG CB C 13 34.993 0.400 A 37 ARG CD C 13 43.432 0.400 A 37 ARG CG C 13 27.245 0.400 A 37 ARG N N 15 120.074 0.400 A 37 ARG NE N 15 84.287 0.400 A 38 TRP H H 1 8.889 0.030 A 38 TRP HA H 1 5.640 0.030 A 38 TRP HB2 H 1 2.974 0.030 A 38 TRP HB3 H 1 2.870 0.030 A 38 TRP HD1 H 1 7.072 0.030 A 38 TRP HE1 H 1 9.952 0.030 A 38 TRP HE3 H 1 6.331 0.030 A 38 TRP HH2 H 1 6.321 0.030 A 38 TRP HZ2 H 1 7.030 0.030 A 38 TRP HZ3 H 1 7.344 0.030 A 38 TRP C C 13 175.618 0.400 A 38 TRP CA C 13 55.929 0.400 A 38 TRP CB C 13 31.626 0.400 A 38 TRP CD1 C 13 127.482 0.400 A 38 TRP CE3 C 13 124.095 0.400 A 38 TRP CH2 C 13 121.355 0.400 A 38 TRP CZ2 C 13 114.991 0.400 A 38 TRP CZ3 C 13 119.909 0.400 A 38 TRP N N 15 122.663 0.400 A 38 TRP NE1 N 15 129.221 0.400 A 39 TYR H H 1 9.558 0.030 A 39 TYR HA H 1 5.072 0.030 A 39 TYR HB2 H 1 2.779 0.030 A 39 TYR HB3 H 1 2.501 0.030 A 39 TYR HD1 H 1 6.686 0.030 A 39 TYR HD2 H 1 6.686 0.030 A 39 TYR HE1 H 1 6.603 0.030 A 39 TYR HE2 H 1 6.603 0.030 A 39 TYR C C 13 174.459 0.400 A 39 TYR CA C 13 56.573 0.400 A 39 TYR CB C 13 43.190 0.400 A 39 TYR CD1 C 13 132.597 0.400 A 39 TYR CD2 C 13 132.597 0.400 A 39 TYR CE1 C 13 117.682 0.400 A 39 TYR CE2 C 13 117.682 0.400 A 39 TYR N N 15 118.808 0.400 A 40 LYS H H 1 9.093 0.030 A 40 LYS HA H 1 4.624 0.030 A 40 LYS HBy H 1 1.507 0.030 A 40 LYS HBx H 1 1.099 0.030 A 40 LYS HDy H 1 1.275 0.030 A 40 LYS HDx H 1 0.944 0.030 A 40 LYS HEy H 1 2.753 0.030 A 40 LYS HEx H 1 2.487 0.030 A 40 LYS HGy H 1 0.590 0.030 A 40 LYS HGx H 1 -0.108 0.030 A 40 LYS C C 13 176.610 0.400 A 40 LYS CA C 13 54.556 0.400 A 40 LYS CB C 13 34.697 0.400 A 40 LYS CD C 13 28.458 0.400 A 40 LYS CE C 13 43.250 0.400 A 40 LYS CG C 13 24.684 0.400 A 40 LYS N N 15 121.010 0.400 A 41 ASP H H 1 9.894 0.030 A 41 ASP HA H 1 4.374 0.030 A 41 ASP HBy H 1 2.887 0.030 A 41 ASP HBx H 1 2.668 0.030 A 41 ASP C C 13 176.298 0.400 A 41 ASP CA C 13 55.648 0.400 A 41 ASP CB C 13 39.829 0.400 A 41 ASP N N 15 130.021 0.400 A 42 GLY H H 1 8.868 0.030 A 42 GLY HAy H 1 4.212 0.030 A 42 GLY HAx H 1 3.633 0.030 A 42 GLY C C 13 173.849 0.400 A 42 GLY CA C 13 45.261 0.400 A 42 GLY N N 15 102.535 0.400 A 43 GLN H H 1 8.055 0.030 A 43 GLN HA H 1 4.837 0.030 A 43 GLN HBy H 1 2.193 0.030 A 43 GLN HBx H 1 2.067 0.030 A 43 GLN HE2y H 1 7.637 0.030 A 43 GLN HE2x H 1 6.883 0.030 A 43 GLN HGy H 1 2.422 0.030 A 43 GLN HGx H 1 2.391 0.030 A 43 GLN C C 13 175.261 0.400 A 43 GLN CA C 13 53.549 0.400 A 43 GLN CB C 13 30.897 0.400 A 43 GLN CG C 13 33.539 0.400 A 43 GLN N N 15 119.978 0.400 A 43 GLN NE2 N 15 112.608 0.400 A 44 GLU H H 1 9.200 0.030 A 44 GLU HA H 1 3.870 0.030 A 44 GLU HB2 H 1 1.810 0.030 A 44 GLU HB3 H 1 1.810 0.030 A 44 GLU HGx H 1 2.042 0.030 A 44 GLU HGy H 1 2.187 0.030 A 44 GLU C C 13 176.844 0.400 A 44 GLU CA C 13 57.655 0.400 A 44 GLU CB C 13 29.154 0.400 A 44 GLU CG C 13 35.987 0.400 A 44 GLU N N 15 127.656 0.400 A 45 VAL H H 1 8.428 0.030 A 45 VAL HA H 1 3.957 0.030 A 45 VAL HB H 1 1.884 0.030 A 45 VAL HG1% H 1 0.827 0.030 A 45 VAL HG2% H 1 0.913 0.030 A 45 VAL C C 13 174.882 0.400 A 45 VAL CA C 13 62.492 0.400 A 45 VAL CB C 13 32.589 0.400 A 45 VAL CG1 C 13 21.880 0.400 A 45 VAL CG2 C 13 21.411 0.400 A 45 VAL N N 15 125.568 0.400 A 46 GLU H H 1 8.199 0.030 A 46 GLU HA H 1 4.572 0.030 A 46 GLU HBy H 1 2.031 0.030 A 46 GLU HBx H 1 1.850 0.030 A 46 GLU HG2 H 1 2.219 0.030 A 46 GLU HG3 H 1 2.219 0.030 A 46 GLU C C 13 175.339 0.400 A 46 GLU CA C 13 53.902 0.400 A 46 GLU CB C 13 31.718 0.400 A 46 GLU CG C 13 36.227 0.400 A 46 GLU N N 15 125.503 0.400 A 47 GLU H H 1 8.656 0.030 A 47 GLU HA H 1 4.150 0.030 A 47 GLU HBy H 1 2.137 0.030 A 47 GLU HBx H 1 2.024 0.030 A 47 GLU HGy H 1 2.439 0.030 A 47 GLU HGx H 1 2.220 0.030 A 47 GLU C C 13 176.131 0.400 A 47 GLU CA C 13 57.629 0.400 A 47 GLU CB C 13 30.463 0.400 A 47 GLU CG C 13 37.774 0.400 A 47 GLU N N 15 122.479 0.400 A 48 SER H H 1 9.157 0.030 A 48 SER HA H 1 4.714 0.030 A 48 SER HBy H 1 4.235 0.030 A 48 SER HBx H 1 3.966 0.030 A 48 SER C C 13 174.369 0.400 A 48 SER CA C 13 57.487 0.400 A 48 SER CB C 13 65.321 0.400 A 48 SER N N 15 118.701 0.400 A 49 ASP H H 1 8.576 0.030 A 49 ASP HA H 1 4.249 0.030 A 49 ASP HBy H 1 2.193 0.030 A 49 ASP HBx H 1 1.909 0.030 A 49 ASP C C 13 176.298 0.400 A 49 ASP CA C 13 56.302 0.400 A 49 ASP CB C 13 39.782 0.400 A 49 ASP N N 15 117.332 0.400 A 50 PHE H H 1 8.174 0.030 A 50 PHE HA H 1 4.528 0.030 A 50 PHE HBy H 1 3.543 0.030 A 50 PHE HBx H 1 2.630 0.030 A 50 PHE HD1 H 1 7.268 0.030 A 50 PHE HD2 H 1 7.268 0.030 A 50 PHE HE1 H 1 7.183 0.030 A 50 PHE HE2 H 1 7.183 0.030 A 50 PHE C C 13 174.514 0.400 A 50 PHE CA C 13 57.279 0.400 A 50 PHE CB C 13 40.414 0.400 A 50 PHE CD1 C 13 131.578 0.400 A 50 PHE CD2 C 13 131.578 0.400 A 50 PHE CE1 C 13 129.414 0.400 A 50 PHE CE2 C 13 129.414 0.400 A 50 PHE N N 15 114.857 0.400 A 51 VAL H H 1 7.065 0.030 A 51 VAL HA H 1 4.479 0.030 A 51 VAL HB H 1 2.096 0.030 A 51 VAL HG1% H 1 0.604 0.030 A 51 VAL HG2% H 1 0.773 0.030 A 51 VAL C C 13 172.820 0.400 A 51 VAL CA C 13 62.070 0.400 A 51 VAL CB C 13 33.936 0.400 A 51 VAL CG1 C 13 20.731 0.400 A 51 VAL CG2 C 13 21.261 0.400 A 51 VAL N N 15 120.222 0.400 A 52 VAL H H 1 8.900 0.030 A 52 VAL HA H 1 4.307 0.030 A 52 VAL HB H 1 1.808 0.030 A 52 VAL HG1% H 1 0.606 0.030 A 52 VAL HG2% H 1 0.784 0.030 A 52 VAL C C 13 174.615 0.400 A 52 VAL CA C 13 60.743 0.400 A 52 VAL CB C 13 34.660 0.400 A 52 VAL CG1 C 13 20.625 0.400 A 52 VAL CG2 C 13 20.523 0.400 A 52 VAL N N 15 126.988 0.400 A 53 LEU H H 1 8.546 0.030 A 53 LEU HA H 1 5.015 0.030 A 53 LEU HB2 H 1 1.726 0.030 A 53 LEU HB3 H 1 1.288 0.030 A 53 LEU HD1% H 1 0.880 0.030 A 53 LEU HD2% H 1 0.408 0.030 A 53 LEU HG H 1 1.367 0.030 A 53 LEU C C 13 176.655 0.400 A 53 LEU CA C 13 52.842 0.400 A 53 LEU CB C 13 41.878 0.400 A 53 LEU CD1 C 13 25.302 0.400 A 53 LEU CD2 C 13 23.216 0.400 A 53 LEU CG C 13 27.080 0.400 A 53 LEU N N 15 125.951 0.400 A 54 GLU H H 1 8.529 0.030 A 54 GLU HA H 1 4.632 0.030 A 54 GLU HBy H 1 1.797 0.030 A 54 GLU HBx H 1 1.705 0.030 A 54 GLU HGx H 1 1.906 0.030 A 54 GLU HGy H 1 2.012 0.030 A 54 GLU C C 13 174.113 0.400 A 54 GLU CA C 13 54.891 0.400 A 54 GLU CB C 13 33.534 0.400 A 54 GLU CG C 13 36.034 0.400 A 54 GLU N N 15 122.503 0.400 A 55 ASN H H 1 8.736 0.030 A 55 ASN HA H 1 5.500 0.030 A 55 ASN HBy H 1 2.739 0.030 A 55 ASN HBx H 1 2.624 0.030 A 55 ASN HD2y H 1 7.509 0.030 A 55 ASN HD2x H 1 6.804 0.030 A 55 ASN C C 13 174.001 0.400 A 55 ASN CA C 13 51.632 0.400 A 55 ASN CB C 13 40.781 0.400 A 55 ASN N N 15 123.064 0.400 A 55 ASN ND2 N 15 112.385 0.400 A 56 GLU H H 1 8.212 0.030 A 56 GLU HA H 1 4.527 0.030 A 56 GLU HBy H 1 1.986 0.030 A 56 GLU HBx H 1 1.920 0.030 A 56 GLU HGx H 1 2.160 0.030 A 56 GLU HGy H 1 2.292 0.030 A 56 GLU C C 13 174.960 0.400 A 56 GLU CA C 13 55.278 0.400 A 56 GLU CB C 13 31.910 0.400 A 56 GLU CG C 13 35.366 0.400 A 56 GLU N N 15 123.870 0.400 A 57 GLY H H 1 9.207 0.030 A 57 GLY HAy H 1 4.326 0.030 A 57 GLY HAx H 1 3.688 0.030 A 57 GLY C C 13 173.745 0.400 A 57 GLY CA C 13 44.982 0.400 A 57 GLY N N 15 119.355 0.400 A 58 PRO HA H 1 4.349 0.030 A 58 PRO HBy H 1 2.601 0.030 A 58 PRO HBx H 1 1.780 0.030 A 58 PRO HDy H 1 3.838 0.030 A 58 PRO HDx H 1 3.657 0.030 A 58 PRO HGy H 1 1.933 0.030 A 58 PRO HGx H 1 0.836 0.030 A 58 PRO C C 13 173.725 0.400 A 58 PRO CA C 13 63.352 0.400 A 58 PRO CB C 13 32.219 0.400 A 58 PRO CD C 13 50.248 0.400 A 58 PRO CG C 13 25.031 0.400 A 59 HIS H H 1 8.490 0.030 A 59 HIS HA H 1 5.008 0.030 A 59 HIS HB2 H 1 3.548 0.030 A 59 HIS HB3 H 1 2.947 0.030 A 59 HIS HD2 H 1 7.231 0.030 A 59 HIS C C 13 176.800 0.400 A 59 HIS CA C 13 56.742 0.400 A 59 HIS CB C 13 30.505 0.400 A 59 HIS CD2 C 13 120.156 0.400 A 59 HIS N N 15 119.976 0.400 A 60 ARG H H 1 9.415 0.030 A 60 ARG HA H 1 5.336 0.030 A 60 ARG HBy H 1 2.150 0.030 A 60 ARG HBx H 1 1.867 0.030 A 60 ARG HDy H 1 3.428 0.030 A 60 ARG HDx H 1 3.072 0.030 A 60 ARG HE H 1 6.358 0.030 A 60 ARG HGy H 1 1.547 0.030 A 60 ARG HGx H 1 1.424 0.030 A 60 ARG C C 13 174.626 0.400 A 60 ARG CA C 13 53.340 0.400 A 60 ARG CB C 13 29.760 0.400 A 60 ARG CD C 13 42.637 0.400 A 60 ARG CG C 13 25.527 0.400 A 60 ARG N N 15 127.605 0.400 A 60 ARG NE N 15 80.634 0.400 A 61 ARG H H 1 9.029 0.030 A 61 ARG HA H 1 5.763 0.030 A 61 ARG HBy H 1 1.751 0.030 A 61 ARG HBx H 1 1.454 0.030 A 61 ARG HDx H 1 3.056 0.030 A 61 ARG HDy H 1 3.174 0.030 A 61 ARG HE H 1 7.244 0.030 A 61 ARG HGy H 1 1.532 0.030 A 61 ARG HGx H 1 1.447 0.030 A 61 ARG C C 13 174.369 0.400 A 61 ARG CA C 13 53.906 0.400 A 61 ARG CB C 13 34.136 0.400 A 61 ARG CD C 13 43.284 0.400 A 61 ARG CG C 13 28.121 0.400 A 61 ARG N N 15 121.226 0.400 A 61 ARG NE N 15 84.636 0.400 A 62 LEU H H 1 8.443 0.030 A 62 LEU HA H 1 4.285 0.030 A 62 LEU HBy H 1 -0.105 0.030 A 62 LEU HBx H 1 -1.021 0.030 A 62 LEU HD1% H 1 0.211 0.030 A 62 LEU HD2% H 1 0.074 0.030 A 62 LEU HG H 1 0.699 0.030 A 62 LEU C C 13 173.890 0.400 A 62 LEU CA C 13 54.492 0.400 A 62 LEU CB C 13 41.205 0.400 A 62 LEU CD1 C 13 26.834 0.400 A 62 LEU CD2 C 13 24.046 0.400 A 62 LEU CG C 13 26.901 0.400 A 62 LEU N N 15 127.796 0.400 A 63 VAL H H 1 9.401 0.030 A 63 VAL HA H 1 4.439 0.030 A 63 VAL HB H 1 1.805 0.030 A 63 VAL HG1% H 1 0.614 0.030 A 63 VAL HG2% H 1 0.573 0.030 A 63 VAL C C 13 174.236 0.400 A 63 VAL CA C 13 60.601 0.400 A 63 VAL CB C 13 34.027 0.400 A 63 VAL CG1 C 13 20.916 0.400 A 63 VAL CG2 C 13 20.540 0.400 A 63 VAL N N 15 126.988 0.400 A 64 LEU H H 1 8.801 0.030 A 64 LEU HA H 1 5.088 0.030 A 64 LEU HBy H 1 1.827 0.030 A 64 LEU HBx H 1 1.298 0.030 A 64 LEU HD1% H 1 0.576 0.030 A 64 LEU HD2% H 1 0.875 0.030 A 64 LEU HG H 1 1.228 0.030 A 64 LEU C C 13 174.715 0.400 A 64 LEU CA C 13 50.756 0.400 A 64 LEU CB C 13 41.620 0.400 A 64 LEU CD1 C 13 25.034 0.400 A 64 LEU CD2 C 13 24.606 0.400 A 64 LEU CG C 13 25.926 0.400 A 64 LEU N N 15 128.265 0.400 A 65 PRO HA H 1 4.211 0.030 A 65 PRO HB2 H 1 2.264 0.030 A 65 PRO HB3 H 1 1.815 0.030 A 65 PRO HDy H 1 3.899 0.030 A 65 PRO HDx H 1 3.607 0.030 A 65 PRO HGy H 1 1.916 0.030 A 65 PRO HGx H 1 1.686 0.030 A 65 PRO C C 13 176.297 0.400 A 65 PRO CA C 13 64.498 0.400 A 65 PRO CB C 13 32.529 0.400 A 65 PRO CD C 13 50.754 0.400 A 65 PRO CG C 13 27.346 0.400 A 66 ALA H H 1 8.144 0.030 A 66 ALA HA H 1 4.105 0.030 A 66 ALA HB% H 1 1.168 0.030 A 66 ALA C C 13 175.763 0.400 A 66 ALA CA C 13 51.087 0.400 A 66 ALA CB C 13 18.569 0.400 A 66 ALA N N 15 119.362 0.400 A 67 THR H H 1 8.218 0.030 A 67 THR HA H 1 4.149 0.030 A 67 THR HB H 1 4.035 0.030 A 67 THR HG2% H 1 1.113 0.030 A 67 THR C C 13 174.838 0.400 A 67 THR CA C 13 64.118 0.400 A 67 THR CB C 13 69.930 0.400 A 67 THR CG2 C 13 22.904 0.400 A 67 THR N N 15 117.343 0.400 A 68 GLN H H 1 9.520 0.030 A 68 GLN HA H 1 4.862 0.030 A 68 GLN HBy H 1 2.208 0.030 A 68 GLN HBx H 1 1.747 0.030 A 68 GLN HE2y H 1 7.464 0.030 A 68 GLN HE2x H 1 6.513 0.030 A 68 GLN HGy H 1 2.387 0.030 A 68 GLN HGx H 1 2.313 0.030 A 68 GLN C C 13 174.927 0.400 A 68 GLN CA C 13 52.708 0.400 A 68 GLN CB C 13 29.917 0.400 A 68 GLN CG C 13 33.258 0.400 A 68 GLN N N 15 124.532 0.400 A 68 GLN NE2 N 15 112.940 0.400 A 69 PRO HA H 1 4.176 0.030 A 69 PRO HBy H 1 2.434 0.030 A 69 PRO HBx H 1 1.959 0.030 A 69 PRO HD2 H 1 3.830 0.030 A 69 PRO HD3 H 1 3.830 0.030 A 69 PRO HGy H 1 2.212 0.030 A 69 PRO HGx H 1 1.967 0.030 A 69 PRO C C 13 177.858 0.400 A 69 PRO CA C 13 65.983 0.400 A 69 PRO CB C 13 31.382 0.400 A 69 PRO CD C 13 50.114 0.400 A 69 PRO CG C 13 28.087 0.400 A 70 SER H H 1 7.722 0.030 A 70 SER HA H 1 4.280 0.030 A 70 SER HBy H 1 4.060 0.030 A 70 SER HBx H 1 3.762 0.030 A 70 SER C C 13 174.994 0.400 A 70 SER CA C 13 59.148 0.400 A 70 SER CB C 13 62.477 0.400 A 70 SER N N 15 108.694 0.400 A 71 ASP H H 1 8.298 0.030 A 71 ASP HA H 1 4.583 0.030 A 71 ASP HB2 H 1 2.875 0.030 A 71 ASP HB3 H 1 2.875 0.030 A 71 ASP C C 13 175.083 0.400 A 71 ASP CA C 13 56.222 0.400 A 71 ASP CB C 13 41.904 0.400 A 71 ASP N N 15 121.783 0.400 A 72 GLY H H 1 7.394 0.030 A 72 GLY HAy H 1 3.947 0.030 A 72 GLY HAx H 1 3.733 0.030 A 72 GLY C C 13 173.870 0.400 A 72 GLY CA C 13 45.028 0.400 A 72 GLY N N 15 101.724 0.400 A 73 GLY H H 1 8.936 0.030 A 73 GLY HAy H 1 4.567 0.030 A 73 GLY HAx H 1 4.040 0.030 A 73 GLY C C 13 171.448 0.400 A 73 GLY CA C 13 44.883 0.400 A 73 GLY N N 15 109.329 0.400 A 74 GLU H H 1 8.667 0.030 A 74 GLU HA H 1 5.319 0.030 A 74 GLU HBy H 1 2.199 0.030 A 74 GLU HBx H 1 2.054 0.030 A 74 GLU HGy H 1 2.388 0.030 A 74 GLU HGx H 1 2.301 0.030 A 74 GLU C C 13 176.109 0.400 A 74 GLU CA C 13 54.618 0.400 A 74 GLU CB C 13 30.550 0.400 A 74 GLU CG C 13 35.664 0.400 A 74 GLU N N 15 119.978 0.400 A 75 PHE H H 1 9.924 0.030 A 75 PHE HA H 1 5.924 0.030 A 75 PHE HBy H 1 3.300 0.030 A 75 PHE HBx H 1 2.973 0.030 A 75 PHE HD1 H 1 7.121 0.030 A 75 PHE HD2 H 1 7.121 0.030 A 75 PHE HE1 H 1 7.155 0.030 A 75 PHE HE2 H 1 7.155 0.030 A 75 PHE HZ H 1 6.826 0.030 A 75 PHE C C 13 176.055 0.400 A 75 PHE CA C 13 56.284 0.400 A 75 PHE CB C 13 42.866 0.400 A 75 PHE CD1 C 13 131.967 0.400 A 75 PHE CD2 C 13 131.967 0.400 A 75 PHE CE1 C 13 130.889 0.400 A 75 PHE CE2 C 13 130.889 0.400 A 75 PHE CZ C 13 129.172 0.400 A 75 PHE N N 15 125.693 0.400 A 76 GLN H H 1 9.415 0.030 A 76 GLN HA H 1 5.491 0.030 A 76 GLN HBy H 1 1.888 0.030 A 76 GLN HBx H 1 1.794 0.030 A 76 GLN HE2y H 1 6.734 0.030 A 76 GLN HE2x H 1 6.613 0.030 A 76 GLN HGx H 1 1.794 0.030 A 76 GLN HGy H 1 1.888 0.030 A 76 GLN C C 13 174.158 0.400 A 76 GLN CA C 13 53.797 0.400 A 76 GLN CB C 13 34.064 0.400 A 76 GLN CG C 13 33.500 0.400 A 76 GLN N N 15 120.212 0.400 A 76 GLN NE2 N 15 110.713 0.400 A 77 CYS H H 1 8.704 0.030 A 77 CYS HA H 1 4.341 0.030 A 77 CYS HBy H 1 1.936 0.030 A 77 CYS HBx H 1 0.716 0.030 A 77 CYS C C 13 173.154 0.400 A 77 CYS CA C 13 57.471 0.400 A 77 CYS CB C 13 27.549 0.400 A 77 CYS N N 15 124.085 0.400 A 78 VAL H H 1 9.132 0.030 A 78 VAL HA H 1 4.375 0.030 A 78 VAL HB H 1 1.980 0.030 A 78 VAL HG1% H 1 0.844 0.030 A 78 VAL HG2% H 1 0.799 0.030 A 78 VAL C C 13 175.172 0.400 A 78 VAL CA C 13 61.776 0.400 A 78 VAL CB C 13 33.376 0.400 A 78 VAL CG1 C 13 20.921 0.400 A 78 VAL CG2 C 13 21.927 0.400 A 78 VAL N N 15 128.203 0.400 A 79 ALA H H 1 8.366 0.030 A 79 ALA HA H 1 4.598 0.030 A 79 ALA HB% H 1 0.941 0.030 A 79 ALA C C 13 174.860 0.400 A 79 ALA CA C 13 49.672 0.400 A 79 ALA CB C 13 20.874 0.400 A 79 ALA N N 15 132.734 0.400 A 80 GLY H H 1 8.639 0.030 A 80 GLY HAy H 1 3.818 0.030 A 80 GLY HAx H 1 3.479 0.030 A 80 GLY C C 13 174.470 0.400 A 80 GLY CA C 13 47.054 0.400 A 80 GLY N N 15 111.702 0.400 A 81 ASP H H 1 9.048 0.030 A 81 ASP HA H 1 4.733 0.030 A 81 ASP HBy H 1 2.871 0.030 A 81 ASP HBx H 1 2.572 0.030 A 81 ASP C C 13 175.567 0.400 A 81 ASP CA C 13 53.800 0.400 A 81 ASP CB C 13 41.484 0.400 A 81 ASP N N 15 127.009 0.400 A 82 GLU H H 1 8.438 0.030 A 82 GLU HA H 1 4.612 0.030 A 82 GLU HBy H 1 2.169 0.030 A 82 GLU HBx H 1 2.039 0.030 A 82 GLU HGx H 1 2.310 0.030 A 82 GLU HGy H 1 2.601 0.030 A 82 GLU C C 13 174.314 0.400 A 82 GLU CA C 13 55.754 0.400 A 82 GLU CB C 13 32.191 0.400 A 82 GLU CG C 13 36.682 0.400 A 82 GLU N N 15 121.271 0.400 A 83 CYS H H 1 8.219 0.030 A 83 CYS HA H 1 5.218 0.030 A 83 CYS HB2 H 1 2.404 0.030 A 83 CYS HB3 H 1 2.404 0.030 A 83 CYS C C 13 172.312 0.400 A 83 CYS CA C 13 56.525 0.400 A 83 CYS CB C 13 30.581 0.400 A 83 CYS N N 15 116.920 0.400 A 84 ALA H H 1 8.692 0.030 A 84 ALA HA H 1 4.587 0.030 A 84 ALA HB% H 1 1.207 0.030 A 84 ALA C C 13 174.949 0.400 A 84 ALA CA C 13 49.753 0.400 A 84 ALA CB C 13 22.222 0.400 A 84 ALA N N 15 128.406 0.400 A 85 TYR H H 1 8.643 0.030 A 85 TYR HA H 1 4.814 0.030 A 85 TYR HBy H 1 2.129 0.030 A 85 TYR HBx H 1 1.935 0.030 A 85 TYR HD1 H 1 6.991 0.030 A 85 TYR HD2 H 1 6.991 0.030 A 85 TYR HE1 H 1 6.654 0.030 A 85 TYR HE2 H 1 6.654 0.030 A 85 TYR C C 13 173.622 0.400 A 85 TYR CA C 13 57.388 0.400 A 85 TYR CB C 13 40.933 0.400 A 85 TYR CD1 C 13 133.264 0.400 A 85 TYR CD2 C 13 133.264 0.400 A 85 TYR CE1 C 13 117.870 0.400 A 85 TYR CE2 C 13 117.870 0.400 A 85 TYR N N 15 119.550 0.400 A 86 PHE H H 1 8.909 0.030 A 86 PHE HA H 1 5.482 0.030 A 86 PHE HBy H 1 3.106 0.030 A 86 PHE HBx H 1 2.704 0.030 A 86 PHE HD1 H 1 7.064 0.030 A 86 PHE HD2 H 1 7.064 0.030 A 86 PHE HE1 H 1 7.259 0.030 A 86 PHE HE2 H 1 7.259 0.030 A 86 PHE C C 13 175.841 0.400 A 86 PHE CA C 13 54.660 0.400 A 86 PHE CB C 13 43.265 0.400 A 86 PHE CD1 C 13 132.622 0.400 A 86 PHE CD2 C 13 132.622 0.400 A 86 PHE CE1 C 13 131.167 0.400 A 86 PHE CE2 C 13 131.167 0.400 A 86 PHE CZ C 13 129.649 0.400 A 86 PHE N N 15 117.475 0.400 A 87 THR H H 1 9.402 0.030 A 87 THR HA H 1 5.238 0.030 A 87 THR HB H 1 3.953 0.030 A 87 THR HG2% H 1 1.404 0.030 A 87 THR C C 13 173.622 0.400 A 87 THR CA C 13 62.704 0.400 A 87 THR CB C 13 71.038 0.400 A 87 THR CG2 C 13 21.614 0.400 A 87 THR N N 15 122.264 0.400 A 88 VAL H H 1 9.400 0.030 A 88 VAL HA H 1 5.055 0.030 A 88 VAL HB H 1 2.398 0.030 A 88 VAL HG1% H 1 0.755 0.030 A 88 VAL HG2% H 1 0.796 0.030 A 88 VAL C C 13 175.953 0.400 A 88 VAL CA C 13 61.115 0.400 A 88 VAL CB C 13 33.390 0.400 A 88 VAL CG1 C 13 20.807 0.400 A 88 VAL CG2 C 13 22.459 0.400 A 88 VAL N N 15 128.922 0.400 A 89 THR H H 1 9.116 0.030 A 89 THR HA H 1 4.734 0.030 A 89 THR HB H 1 4.115 0.030 A 89 THR HG2% H 1 1.275 0.030 A 89 THR C C 13 171.816 0.400 A 89 THR CA C 13 61.020 0.400 A 89 THR CB C 13 70.719 0.400 A 89 THR CG2 C 13 21.594 0.400 A 89 THR N N 15 123.765 0.400 A 90 ILE H H 1 8.021 0.030 A 90 ILE HA H 1 4.311 0.030 A 90 ILE HB H 1 1.615 0.030 A 90 ILE HD1% H 1 0.604 0.030 A 90 ILE HG1y H 1 1.335 0.030 A 90 ILE HG1x H 1 0.925 0.030 A 90 ILE HG2% H 1 0.741 0.030 A 90 ILE C C 13 170.211 0.400 A 90 ILE CA C 13 62.459 0.400 A 90 ILE CB C 13 40.457 0.400 A 90 ILE CD1 C 13 14.015 0.400 A 90 ILE CG1 C 13 28.236 0.400 A 90 ILE CG2 C 13 17.826 0.400 A 90 ILE N N 15 128.538 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 VAL H A 4 VAL HB 1.0 0.0 4.36 2 2 A 4 VAL H A 4 VAL HG2% 1.0 0.0 4.99 3 3 A 31 ARG HA A 32 GLU H 1.0 0.0 3.58 4 4 A 4 VAL HA A 5 HIS H 1.0 0.0 3.71 5 5 A 38 TRP H A 38 TRP HB3 1.0 0.0 4.05 6 6 A 32 GLU H A 32 GLU HB2 1.0 0.0 3.85 7 6 A 32 GLU H A 32 GLU HB3 1.0 0.0 3.85 8 7 A 4 VAL HG2% A 5 HIS H 1.0 0.0 4.34 9 8 A 5 HIS H A 4 VAL HG1% 1.0 0.0 4.78 10 9 A 46 GLU HA A 47 GLU H 1.0 0.0 3.31 11 10 A 47 GLU H A 47 GLU HBy 1.0 0.0 4.36 12 11 A 47 GLU H A 47 GLU HBx 1.0 0.0 4.36 13 12 A 6 ILE H A 6 ILE HB 1.0 0.0 4.00 14 13 A 6 ILE H A 6 ILE HG1y 1.0 0.0 4.74 15 14 A 6 ILE H A 6 ILE HG1x 1.0 0.0 4.74 16 15 A 6 ILE HA A 7 VAL H 1.0 0.0 3.55 17 16 A 7 VAL H A 7 VAL HB 1.0 0.0 4.27 18 17 A 7 VAL H A 7 VAL HG2% 1.0 0.0 3.81 19 18 A 8 ASP H A 28 GLU H 1.0 0.0 4.35 20 19 A 7 VAL H A 8 ASP H 1.0 0.0 3.60 21 20 A 6 ILE HA A 8 ASP H 1.0 0.0 4.78 22 21 A 8 ASP H A 8 ASP HB3 1.0 0.0 4.30 23 22 A 7 VAL HB A 8 ASP H 1.0 0.0 4.45 24 23 A 8 ASP H A 6 ILE HG2% 1.0 0.0 4.04 25 24 A 7 VAL HG2% A 8 ASP H 1.0 0.0 4.32 26 25 A 9 PRO HA A 10 ARG H 1.0 0.0 3.68 27 26 A 10 ARG H A 8 ASP HA 1.0 0.0 4.12 28 27 A 10 ARG H A 11 GLU H 1.0 0.0 3.75 29 28 A 9 PRO HA A 11 GLU H 1.0 0.0 5.02 30 29 A 11 GLU H A 11 GLU HG2 1.0 0.0 4.29 31 29 A 11 GLU H A 11 GLU HG3 1.0 0.0 4.29 32 30 A 11 GLU H A 13 VAL HG2% 1.0 0.0 5.30 33 31 A 11 GLU HA A 12 HIS H 1.0 0.0 3.61 34 32 A 12 HIS H A 12 HIS HBx 1.0 0.0 4.37 35 33 A 12 HIS H A 11 GLU HBy 1.0 0.0 4.61 36 34 A 12 HIS H A 11 GLU HG2 1.0 0.0 4.94 37 34 A 11 GLU HG3 A 12 HIS H 1.0 0.0 4.94 38 35 A 12 HIS H A 11 GLU HBx 1.0 0.0 4.61 39 36 A 13 VAL H A 86 PHE HA 1.0 0.0 4.66 40 37 A 13 VAL H A 12 HIS HA 1.0 0.0 3.53 41 38 A 13 VAL H A 13 VAL HB 1.0 0.0 3.90 42 39 A 13 VAL H A 13 VAL HG1% 1.0 0.0 5.05 43 40 A 13 VAL HG2% A 13 VAL H 1.0 0.0 4.02 44 41 A 13 VAL HA A 14 PHE H 1.0 0.0 3.31 45 42 A 14 PHE H A 14 PHE HB2 1.0 0.0 3.93 46 42 A 14 PHE H A 14 PHE HB3 1.0 0.0 3.93 47 43 A 13 VAL HG1% A 14 PHE H 1.0 0.0 4.01 48 44 A 13 VAL HG2% A 14 PHE H 1.0 0.0 4.96 49 45 A 14 PHE H A 15 VAL HG2% 1.0 0.0 5.35 50 46 A 14 PHE HA A 15 VAL H 1.0 0.0 3.49 51 47 A 15 VAL H A 87 THR HB 1.0 0.0 5.49 52 48 A 15 VAL H A 14 PHE HB2 1.0 0.0 4.86 53 48 A 14 PHE HB3 A 15 VAL H 1.0 0.0 4.86 54 49 A 15 VAL H A 15 VAL HB 1.0 0.0 3.98 55 50 A 15 VAL HG2% A 15 VAL H 1.0 0.0 4.17 56 51 A 15 VAL HA A 16 HIS H 1.0 0.0 3.43 57 52 A 16 HIS H A 15 VAL HG1% 1.0 0.0 4.26 58 53 A 16 HIS HA A 17 ALA H 1.0 0.0 3.44 59 54 A 17 ALA H A 90 ILE HA 1.0 0.0 4.63 60 55 A 17 ALA H A 16 HIS HBy 1.0 0.0 5.51 61 56 A 17 ALA H A 16 HIS HBx 1.0 0.0 5.51 62 57 A 17 ALA H A 89 THR HG2% 1.0 0.0 5.68 63 58 A 17 ALA H A 17 ALA HB% 1.0 0.0 3.78 64 59 A 15 VAL HG1% A 17 ALA H 1.0 0.0 5.05 65 60 A 17 ALA H A 88 VAL HG1% 1.0 0.0 4.74 66 61 A 17 ALA HA A 18 ILE H 1.0 0.0 3.63 67 62 A 18 ILE H A 18 ILE HB 1.0 0.0 4.18 68 63 A 18 ILE H A 18 ILE HG1y 1.0 0.0 4.87 69 64 A 17 ALA HB% A 18 ILE H 1.0 0.0 3.83 70 65 A 18 ILE H A 18 ILE HG2% 1.0 0.0 4.89 71 66 A 18 ILE H A 18 ILE HD1% 1.0 0.0 5.20 72 67 A 18 ILE H A 23 VAL HG2% 1.0 0.0 5.65 73 68 A 18 ILE HA A 19 THR H 1.0 0.0 3.38 74 69 A 19 THR H A 19 THR HB 1.0 0.0 3.96 75 70 A 18 ILE HB A 19 THR H 1.0 0.0 4.25 76 71 A 19 THR H A 19 THR HG2% 1.0 0.0 4.58 77 72 A 18 ILE HG2% A 19 THR H 1.0 0.0 4.07 78 73 A 19 THR H A 90 ILE HG2% 1.0 0.0 4.94 79 74 A 19 THR H A 20 SER H 1.0 0.0 5.42 80 75 A 26 ALA HA A 27 CYS H 1.0 0.0 3.38 81 76 A 19 THR HB A 20 SER H 1.0 0.0 4.66 82 77 A 27 CYS H A 26 ALA HB% 1.0 0.0 4.16 83 78 A 20 SER H A 21 GLU H 1.0 0.0 4.29 84 79 A 21 GLU H A 22 CYS H 1.0 0.0 5.28 85 80 A 21 GLU H A 67 THR HB 1.0 0.0 5.06 86 81 A 17 ALA HB% A 21 GLU H 1.0 0.0 6.30 87 82 A 21 GLU H A 67 THR HG2% 1.0 0.0 6.30 88 83 A 53 LEU HA A 54 GLU H 1.0 0.0 3.57 89 84 A 22 CYS H A 22 CYS HBx 1.0 0.0 4.34 90 85 A 22 CYS H A 21 GLU HBx 1.0 0.0 4.99 91 86 A 54 GLU H A 53 LEU HB2 1.0 0.0 4.40 92 87 A 23 VAL H A 23 VAL HB 1.0 0.0 4.14 93 88 A 23 VAL HG2% A 23 VAL H 1.0 0.0 4.73 94 89 A 23 VAL H A 23 VAL HG1% 1.0 0.0 5.02 95 90 A 23 VAL H A 64 LEU HD1% 1.0 0.0 5.67 96 91 A 23 VAL HA A 24 MET H 1.0 0.0 3.24 97 92 A 24 MET H A 24 MET HB2 1.0 0.0 3.79 98 92 A 24 MET H A 24 MET HB3 1.0 0.0 3.79 99 93 A 23 VAL HG2% A 24 MET H 1.0 0.0 4.80 100 94 A 23 VAL HG1% A 24 MET H 1.0 0.0 4.11 101 95 A 24 MET HA A 25 LEU H 1.0 0.0 3.45 102 96 A 25 LEU H A 24 MET HB2 1.0 0.0 5.26 103 96 A 24 MET HB3 A 25 LEU H 1.0 0.0 5.26 104 97 A 25 LEU H A 25 LEU HG 1.0 0.0 4.28 105 98 A 26 ALA H A 86 PHE HE% 1.0 0.0 4.70 106 99 A 26 ALA H A 25 LEU HA 1.0 0.0 3.43 107 100 A 26 ALA HB% A 26 ALA H 1.0 0.0 3.84 108 101 A 26 ALA H A 25 LEU HD2% 1.0 0.0 5.13 109 102 A 26 ALA H A 25 LEU HB3 1.0 0.0 4.97 110 103 A 28 GLU H A 27 CYS H 1.0 0.0 4.51 111 104 A 27 CYS H A 61 ARG HA 1.0 0.0 4.95 112 105 A 27 CYS H A 27 CYS HB2 1.0 0.0 4.35 113 105 A 27 CYS H A 27 CYS HB3 1.0 0.0 4.35 114 106 A 28 GLU H A 27 CYS HA 1.0 0.0 3.57 115 107 A 28 GLU H A 27 CYS HB2 1.0 0.0 4.25 116 107 A 28 GLU H A 27 CYS HB3 1.0 0.0 4.25 117 108 A 28 GLU H A 8 ASP HB3 1.0 0.0 4.77 118 109 A 7 VAL HG2% A 28 GLU H 1.0 0.0 5.62 119 110 A 28 GLU HA A 29 VAL H 1.0 0.0 3.46 120 111 A 29 VAL H A 59 HIS HA 1.0 0.0 5.04 121 112 A 29 VAL H A 29 VAL HG2% 1.0 0.0 3.63 122 113 A 29 VAL H A 29 VAL HG1% 1.0 0.0 4.47 123 114 A 29 VAL HA A 30 ASP H 1.0 0.0 3.66 124 115 A 30 ASP H A 29 VAL HB 1.0 0.0 3.73 125 116 A 30 ASP H A 7 VAL HG1% 1.0 0.0 4.34 126 117 A 29 VAL HG1% A 30 ASP H 1.0 0.0 4.65 127 118 A 5 HIS H A 31 ARG H 1.0 0.0 5.87 128 119 A 32 GLU H A 31 ARG H 1.0 0.0 6.17 129 120 A 30 ASP H A 31 ARG H 1.0 0.0 4.16 130 121 A 29 VAL HA A 31 ARG H 1.0 0.0 5.40 131 122 A 29 VAL HB A 31 ARG H 1.0 0.0 4.28 132 123 A 29 VAL HG2% A 31 ARG H 1.0 0.0 3.83 133 124 A 29 VAL HG1% A 31 ARG H 1.0 0.0 5.28 134 125 A 4 VAL HB A 31 ARG HE 1.0 0.0 5.37 135 126 A 32 GLU H A 32 GLU HG2 1.0 0.0 4.69 136 126 A 32 GLU H A 32 GLU HG3 1.0 0.0 4.69 137 127 A 32 GLU H A 33 ASP H 1.0 0.0 4.64 138 128 A 33 ASP H A 32 GLU HB2 1.0 0.0 4.48 139 128 A 32 GLU HB3 A 33 ASP H 1.0 0.0 4.48 140 129 A 33 ASP H A 31 ARG HG2 1.0 0.0 4.59 141 129 A 33 ASP H A 31 ARG HG3 1.0 0.0 4.59 142 130 A 33 ASP H A 34 ALA H 1.0 0.0 4.06 143 131 A 34 ALA H A 32 GLU HA 1.0 0.0 5.42 144 132 A 34 ALA H A 31 ARG HBy 1.0 0.0 5.23 145 133 A 34 ALA H A 31 ARG HBx 1.0 0.0 5.23 146 134 A 34 ALA H A 34 ALA HB% 1.0 0.0 3.53 147 135 A 29 VAL HG2% A 34 ALA H 1.0 0.0 4.81 148 136 A 35 PRO HA A 36 VAL H 1.0 0.0 3.53 149 137 A 36 VAL H A 36 VAL HG2% 1.0 0.0 3.73 150 138 A 36 VAL HA A 37 ARG H 1.0 0.0 3.57 151 139 A 37 ARG H A 36 VAL HB 1.0 0.0 3.62 152 140 A 37 ARG H A 78 VAL HG2% 1.0 0.0 5.37 153 141 A 36 VAL HG2% A 37 ARG H 1.0 0.0 4.33 154 142 A 36 VAL HG2% A 38 TRP HE1 1.0 0.0 4.24 155 143 A 38 TRP HZ3 A 39 TYR H 1.0 0.0 5.96 156 144 A 39 TYR H A 38 TRP HA 1.0 0.0 3.57 157 145 A 39 TYR H A 77 CYS HA 1.0 0.0 5.05 158 146 A 39 TYR H A 38 TRP HB2 1.0 0.0 4.91 159 147 A 39 TYR H A 76 GLN HBx 1.0 0.0 5.87 160 148 A 39 TYR HA A 40 LYS H 1.0 0.0 3.52 161 149 A 40 LYS H A 44 GLU HA 1.0 0.0 5.18 162 150 A 40 LYS H A 39 TYR HB2 1.0 0.0 4.95 163 151 A 40 LYS H A 39 TYR HB3 1.0 0.0 4.47 164 152 A 40 LYS H A 45 VAL HG2% 1.0 0.0 4.36 165 153 A 41 ASP H A 74 GLU H 1.0 0.0 6.04 166 154 A 41 ASP H A 75 PHE HA 1.0 0.0 6.27 167 155 A 41 ASP H A 40 LYS HGy 1.0 0.0 5.30 168 156 A 41 ASP H A 40 LYS HGx 1.0 0.0 5.30 169 157 A 41 ASP H A 42 GLY H 1.0 0.0 4.59 170 158 A 39 TYR HB3 A 42 GLY H 1.0 0.0 5.24 171 159 A 40 LYS H A 43 GLN H 1.0 0.0 4.24 172 160 A 42 GLY H A 43 GLN H 1.0 0.0 4.36 173 161 A 43 GLN H A 39 TYR HD% 1.0 0.0 5.26 174 162 A 43 GLN H A 43 GLN HGy 1.0 0.0 5.70 175 163 A 43 GLN H A 43 GLN HGx 1.0 0.0 5.70 176 164 A 43 GLN H A 43 GLN HBy 1.0 0.0 4.34 177 165 A 43 GLN H A 43 GLN HBx 1.0 0.0 4.34 178 166 A 43 GLN HA A 44 GLU H 1.0 0.0 3.52 179 167 A 44 GLU H A 43 GLN HBy 1.0 0.0 4.95 180 168 A 44 GLU H A 44 GLU HGy 1.0 0.0 5.43 181 169 A 44 GLU H A 43 GLN HBx 1.0 0.0 4.95 182 170 A 44 GLU H A 44 GLU HGx 1.0 0.0 5.43 183 171 A 44 GLU H A 44 GLU HB2 1.0 0.0 3.46 184 171 A 44 GLU H A 44 GLU HB3 1.0 0.0 3.46 185 172 A 39 TYR HA A 45 VAL H 1.0 0.0 4.33 186 173 A 44 GLU HA A 45 VAL H 1.0 0.0 3.53 187 174 A 45 VAL H A 44 GLU HGy 1.0 0.0 4.74 188 175 A 45 VAL H A 44 GLU HGx 1.0 0.0 4.74 189 176 A 45 VAL H A 45 VAL HB 1.0 0.0 4.06 190 177 A 45 VAL HA A 46 GLU H 1.0 0.0 3.40 191 178 A 45 VAL HB A 46 GLU H 1.0 0.0 4.47 192 179 A 47 GLU H A 47 GLU HGy 1.0 0.0 4.91 193 180 A 47 GLU H A 46 GLU HBx 1.0 0.0 5.01 194 181 A 47 GLU H A 53 LEU HD1% 1.0 0.0 4.75 195 182 A 47 GLU HA A 48 SER H 1.0 0.0 3.68 196 183 A 48 SER H A 51 VAL HB 1.0 0.0 4.53 197 184 A 49 ASP H A 50 PHE H 1.0 0.0 4.50 198 185 A 49 ASP H A 48 SER HBy 1.0 0.0 4.55 199 186 A 49 ASP H A 48 SER HBx 1.0 0.0 4.55 200 187 A 50 PHE H A 50 PHE HD% 1.0 0.0 5.13 201 188 A 50 PHE H A 51 VAL H 1.0 0.0 3.99 202 189 A 50 PHE H A 51 VAL HG2% 1.0 0.0 5.52 203 190 A 48 SER H A 51 VAL H 1.0 0.0 4.67 204 191 A 51 VAL H A 51 VAL HG2% 1.0 0.0 4.58 205 192 A 51 VAL H A 51 VAL HG1% 1.0 0.0 5.26 206 193 A 51 VAL H A 52 VAL HG1% 1.0 0.0 5.65 207 194 A 52 VAL H A 52 VAL HB 1.0 0.0 4.28 208 195 A 52 VAL HA A 53 LEU H 1.0 0.0 3.46 209 196 A 53 LEU HB2 A 53 LEU H 1.0 0.0 4.27 210 197 A 53 LEU H A 53 LEU HG 1.0 0.0 4.64 211 198 A 53 LEU H A 52 VAL HG2% 1.0 0.0 4.11 212 199 A 54 GLU H A 62 LEU HA 1.0 0.0 5.17 213 200 A 54 GLU H A 53 LEU HB3 1.0 0.0 5.22 214 201 A 23 VAL HG2% A 22 CYS H 1.0 0.0 5.67 215 202 A 54 GLU H A 53 LEU HD2% 1.0 0.0 4.97 216 203 A 54 GLU HA A 55 ASN H 1.0 0.0 3.36 217 204 A 55 ASN H A 54 GLU HGy 1.0 0.0 5.99 218 205 A 55 ASN H A 56 GLU HBy 1.0 0.0 6.30 219 206 A 56 GLU H A 59 HIS H 1.0 0.0 5.24 220 207 A 56 GLU H A 55 ASN HA 1.0 0.0 3.55 221 208 A 56 GLU H A 59 HIS HB2 1.0 0.0 5.09 222 209 A 56 GLU H A 59 HIS HB3 1.0 0.0 6.30 223 210 A 59 HIS H A 58 PRO HDy 1.0 0.0 5.22 224 211 A 59 HIS H A 59 HIS HB2 1.0 0.0 3.95 225 212 A 59 HIS HA A 60 ARG H 1.0 0.0 3.62 226 213 A 59 HIS HB3 A 60 ARG H 1.0 0.0 4.99 227 214 A 63 VAL H A 63 VAL HB 1.0 0.0 4.13 228 215 A 60 ARG H A 60 ARG HGy 1.0 0.0 4.98 229 216 A 35 PRO HA A 60 ARG HE 1.0 0.0 5.76 230 217 A 55 ASN HA A 61 ARG H 1.0 0.0 4.98 231 218 A 61 ARG H A 60 ARG HA 1.0 0.0 3.62 232 219 A 25 LEU H A 62 LEU H 1.0 0.0 4.58 233 220 A 62 LEU H A 38 TRP HH2 1.0 0.0 5.53 234 221 A 61 ARG HA A 62 LEU H 1.0 0.0 3.55 235 222 A 26 ALA HA A 62 LEU H 1.0 0.0 5.50 236 223 A 62 LEU H A 61 ARG HBy 1.0 0.0 5.13 237 224 A 62 LEU H A 61 ARG HBx 1.0 0.0 5.13 238 225 A 62 LEU H A 25 LEU HB2 1.0 0.0 4.96 239 226 A 62 LEU H A 63 VAL HG2% 1.0 0.0 5.54 240 227 A 62 LEU HA A 63 VAL H 1.0 0.0 3.66 241 228 A 63 VAL H A 62 LEU HG 1.0 0.0 5.06 242 229 A 63 VAL HA A 64 LEU H 1.0 0.0 3.51 243 230 A 64 LEU H A 64 LEU HG 1.0 0.0 5.35 244 231 A 63 VAL HG2% A 64 LEU H 1.0 0.0 4.70 245 232 A 64 LEU HD1% A 64 LEU H 1.0 0.0 5.20 246 233 A 65 PRO HB3 A 66 ALA H 1.0 0.0 4.51 247 234 A 66 ALA H A 66 ALA HB% 1.0 0.0 3.84 248 235 A 67 THR H A 68 GLN H 1.0 0.0 5.47 249 236 A 23 VAL H A 67 THR H 1.0 0.0 5.34 250 237 A 82 GLU HA A 83 CYS H 1.0 0.0 3.50 251 238 A 67 THR H A 66 ALA HA 1.0 0.0 3.68 252 239 A 67 THR H A 19 THR HA 1.0 0.0 6.29 253 240 A 67 THR H A 20 SER HA 1.0 0.0 6.30 254 241 A 67 THR HG2% A 67 THR H 1.0 0.0 4.29 255 242 A 68 GLN H A 71 ASP HB2 1.0 0.0 5.15 256 242 A 68 GLN H A 71 ASP HB3 1.0 0.0 5.15 257 243 A 70 SER H A 68 GLN HBy 1.0 0.0 5.47 258 244 A 70 SER H A 69 PRO HGy 1.0 0.0 5.82 259 245 A 70 SER H A 69 PRO HGx 1.0 0.0 5.82 260 246 A 70 SER H A 68 GLN HBx 1.0 0.0 5.47 261 247 A 68 GLN H A 71 ASP H 1.0 0.0 5.66 262 248 A 70 SER H A 71 ASP H 1.0 0.0 4.50 263 249 A 71 ASP H A 72 GLY H 1.0 0.0 4.05 264 250 A 71 ASP H A 69 PRO HA 1.0 0.0 5.48 265 251 A 71 ASP H A 71 ASP HB2 1.0 0.0 3.65 266 251 A 71 ASP HB3 A 71 ASP H 1.0 0.0 3.65 267 252 A 71 ASP H A 90 ILE HD1% 1.0 0.0 5.07 268 253 A 72 GLY H A 71 ASP HB2 1.0 0.0 5.30 269 253 A 71 ASP HB3 A 72 GLY H 1.0 0.0 5.30 270 254 A 88 VAL HG1% A 72 GLY H 1.0 0.0 6.23 271 255 A 90 ILE HG2% A 72 GLY H 1.0 0.0 6.30 272 256 A 72 GLY H A 90 ILE HD1% 1.0 0.0 4.95 273 257 A 73 GLY H A 88 VAL H 1.0 0.0 4.53 274 258 A 73 GLY H A 88 VAL HB 1.0 0.0 4.27 275 259 A 88 VAL HG1% A 73 GLY H 1.0 0.0 4.85 276 260 A 74 GLU H A 75 PHE H 1.0 0.0 4.87 277 261 A 74 GLU H A 73 GLY H 1.0 0.0 5.17 278 262 A 75 PHE H A 86 PHE H 1.0 0.0 5.03 279 263 A 75 PHE H A 75 PHE HD% 1.0 0.0 4.22 280 264 A 75 PHE H A 74 GLU HA 1.0 0.0 3.59 281 265 A 39 TYR H A 76 GLN H 1.0 0.0 4.32 282 266 A 75 PHE HA A 76 GLN H 1.0 0.0 3.59 283 267 A 39 TYR HB2 A 76 GLN H 1.0 0.0 5.31 284 268 A 76 GLN HA A 77 CYS H 1.0 0.0 3.52 285 269 A 77 CYS H A 84 ALA HB% 1.0 0.0 4.66 286 270 A 37 ARG H A 78 VAL H 1.0 0.0 4.48 287 271 A 78 VAL H A 39 TYR HE% 1.0 0.0 5.34 288 272 A 77 CYS HA A 78 VAL H 1.0 0.0 3.46 289 273 A 78 VAL H A 78 VAL HB 1.0 0.0 3.87 290 274 A 78 VAL HG2% A 78 VAL H 1.0 0.0 4.05 291 275 A 79 ALA H A 83 CYS HA 1.0 0.0 4.70 292 276 A 79 ALA H A 78 VAL HA 1.0 0.0 3.38 293 277 A 78 VAL HB A 79 ALA H 1.0 0.0 5.17 294 278 A 79 ALA H A 79 ALA HB% 1.0 0.0 4.20 295 279 A 79 ALA H A 6 ILE HD1% 1.0 0.0 4.59 296 280 A 79 ALA H A 80 GLY H 1.0 0.0 5.50 297 281 A 80 GLY H A 81 ASP HA 1.0 0.0 5.28 298 282 A 79 ALA HB% A 80 GLY H 1.0 0.0 4.38 299 283 A 4 VAL HG1% A 80 GLY H 1.0 0.0 4.83 300 284 A 81 ASP H A 82 GLU H 1.0 0.0 3.99 301 285 A 80 GLY H A 82 GLU H 1.0 0.0 5.52 302 286 A 82 GLU H A 82 GLU HGx 1.0 0.0 5.29 303 287 A 83 CYS H A 82 GLU H 1.0 0.0 5.30 304 288 A 83 CYS H A 83 CYS HB2 1.0 0.0 4.07 305 288 A 83 CYS H A 83 CYS HB3 1.0 0.0 4.07 306 289 A 83 CYS H A 82 GLU HBy 1.0 0.0 4.69 307 290 A 83 CYS H A 6 ILE HD1% 1.0 0.0 4.86 308 291 A 83 CYS HA A 84 ALA H 1.0 0.0 3.45 309 292 A 77 CYS HA A 84 ALA H 1.0 0.0 5.75 310 293 A 78 VAL HA A 84 ALA H 1.0 0.0 5.95 311 294 A 6 ILE HD1% A 84 ALA H 1.0 0.0 4.25 312 295 A 84 ALA HB% A 85 TYR H 1.0 0.0 4.24 313 296 A 86 PHE H A 86 PHE HD% 1.0 0.0 4.20 314 297 A 86 PHE H A 85 TYR HA 1.0 0.0 3.58 315 298 A 86 PHE HA A 87 THR H 1.0 0.0 3.59 316 299 A 14 PHE HA A 87 THR H 1.0 0.0 4.14 317 300 A 87 THR HB A 87 THR H 1.0 0.0 4.11 318 301 A 87 THR H A 87 THR HG2% 1.0 0.0 5.49 319 302 A 13 VAL HG1% A 87 THR H 1.0 0.0 5.81 320 303 A 88 VAL H A 75 PHE HD% 1.0 0.0 5.22 321 304 A 88 VAL H A 87 THR HA 1.0 0.0 3.56 322 305 A 88 VAL H A 88 VAL HB 1.0 0.0 4.12 323 306 A 88 VAL H A 87 THR HG2% 1.0 0.0 4.33 324 307 A 88 VAL H A 88 VAL HG2% 1.0 0.0 4.26 325 308 A 15 VAL H A 89 THR H 1.0 0.0 5.35 326 309 A 16 HIS HA A 89 THR H 1.0 0.0 4.51 327 310 A 89 THR H A 88 VAL HA 1.0 0.0 3.36 328 311 A 88 VAL HG1% A 89 THR H 1.0 0.0 4.19 329 312 A 89 THR HA A 90 ILE H 1.0 0.0 3.41 330 313 A 90 ILE H A 90 ILE HB 1.0 0.0 4.34 331 314 A 89 THR HG2% A 90 ILE H 1.0 0.0 4.40 332 315 A 88 VAL HG1% A 90 ILE H 1.0 0.0 5.32 333 316 A 90 ILE HG2% A 90 ILE H 1.0 0.0 5.58 334 317 A 5 HIS H A 5 HIS HD2 1.0 0.0 6.03 335 318 A 6 ILE H A 6 ILE HG2% 1.0 0.0 5.32 336 319 A 8 ASP H A 9 PRO HA 1.0 0.0 5.85 337 320 A 8 ASP H A 29 VAL HA 1.0 0.0 5.51 338 321 A 12 HIS H A 12 HIS HBy 1.0 0.0 4.37 339 322 A 13 VAL H A 87 THR H 1.0 0.0 5.51 340 323 A 15 VAL H A 88 VAL HG2% 1.0 0.0 5.76 341 324 A 17 ALA H A 89 THR HA 1.0 0.0 5.68 342 325 A 17 ALA H A 89 THR H 1.0 0.0 5.42 343 326 A 17 ALA H A 18 ILE H 1.0 0.0 5.66 344 327 A 18 ILE HG2% A 21 GLU H 1.0 0.0 5.87 345 328 A 22 CYS H A 21 GLU HBy 1.0 0.0 4.99 346 329 A 17 ALA HB% A 23 VAL H 1.0 0.0 6.18 347 330 A 24 MET H A 24 MET HGy 1.0 0.0 5.92 348 331 A 25 LEU H A 63 VAL HA 1.0 0.0 5.39 349 332 A 23 VAL HG1% A 25 LEU H 1.0 0.0 5.31 350 333 A 27 CYS H A 26 ALA H 1.0 0.0 5.74 351 334 A 26 ALA H A 86 PHE HD% 1.0 0.0 6.30 352 335 A 26 ALA H A 25 LEU HB2 1.0 0.0 5.82 353 336 A 28 GLU H A 9 PRO HD3 1.0 0.0 5.43 354 337 A 7 VAL HG2% A 30 ASP H 1.0 0.0 5.22 355 338 A 32 GLU H A 34 ALA H 1.0 0.0 5.83 356 339 A 31 ARG H A 34 ALA H 1.0 0.0 5.43 357 340 A 38 TRP H A 37 ARG H 1.0 0.0 5.69 358 341 A 37 ARG H A 77 CYS HA 1.0 0.0 6.02 359 342 A 37 ARG H A 78 VAL HA 1.0 0.0 6.30 360 343 A 39 TYR H A 45 VAL HG2% 1.0 0.0 5.70 361 344 A 78 VAL HG2% A 39 TYR H 1.0 0.0 5.86 362 345 A 45 VAL H A 46 GLU H 1.0 0.0 5.04 363 346 A 51 VAL H A 50 PHE HBx 1.0 0.0 5.95 364 347 A 52 VAL H A 63 VAL H 1.0 0.0 5.44 365 348 A 54 GLU H A 53 LEU HG 1.0 0.0 5.85 366 349 A 54 GLU H A 63 VAL HG2% 1.0 0.0 5.46 367 350 A 54 GLU H A 61 ARG H 1.0 0.0 5.22 368 351 A 55 ASN H A 54 GLU HGx 1.0 0.0 5.99 369 352 A 55 ASN H A 56 GLU HBx 1.0 0.0 6.30 370 353 A 90 ILE HD1% A 90 ILE H 1.0 0.0 5.62 371 354 A 86 PHE HD% A 87 THR H 1.0 0.0 5.33 372 355 A 87 THR H A 88 VAL HG2% 1.0 0.0 5.88 373 356 A 15 VAL HG2% A 87 THR H 1.0 0.0 5.86 374 357 A 13 VAL HB A 87 THR H 1.0 0.0 5.85 375 358 A 78 VAL HG2% A 84 ALA H 1.0 0.0 5.73 376 359 A 83 CYS H A 82 GLU HBx 1.0 0.0 4.69 377 360 A 83 CYS H A 82 GLU HGx 1.0 0.0 5.57 378 361 A 82 GLU H A 78 VAL HG1% 1.0 0.0 5.51 379 362 A 80 GLY H A 36 VAL HG1% 1.0 0.0 6.30 380 363 A 78 VAL HG2% A 80 GLY H 1.0 0.0 6.15 381 364 A 80 GLY H A 78 VAL HG1% 1.0 0.0 4.55 382 365 A 4 VAL HG2% A 80 GLY H 1.0 0.0 4.96 383 366 A 80 GLY H A 81 ASP H 1.0 0.0 5.63 384 367 A 78 VAL H A 79 ALA H 1.0 0.0 5.79 385 368 A 78 VAL HG2% A 79 ALA H 1.0 0.0 4.58 386 369 A 77 CYS H A 83 CYS HA 1.0 0.0 5.44 387 370 A 77 CYS H A 86 PHE HD% 1.0 0.0 5.62 388 371 A 78 VAL HG2% A 77 CYS H 1.0 0.0 5.22 389 372 A 76 GLN H A 40 LYS HA 1.0 0.0 5.37 390 373 A 38 TRP HZ3 A 76 GLN H 1.0 0.0 5.73 391 374 A 75 PHE H A 76 GLN H 1.0 0.0 5.95 392 375 A 88 VAL H A 75 PHE H 1.0 0.0 6.30 393 376 A 74 GLU H A 88 VAL HB 1.0 0.0 6.30 394 377 A 73 GLY H A 75 PHE HE% 1.0 0.0 5.52 395 378 A 70 SER H A 69 PRO HD2 1.0 0.0 4.79 396 378 A 70 SER H A 69 PRO HD3 1.0 0.0 4.79 397 379 A 66 ALA H A 67 THR HA 1.0 0.0 5.32 398 380 A 66 ALA H A 22 CYS HA 1.0 0.0 5.80 399 381 A 66 ALA H A 64 LEU HA 1.0 0.0 5.63 400 382 A 66 ALA H A 65 PRO HGy 1.0 0.0 5.90 401 383 A 64 LEU H A 62 LEU HD2% 1.0 0.0 5.81 402 384 A 23 VAL H A 64 LEU H 1.0 0.0 4.85 403 385 A 52 VAL HG2% A 63 VAL H 1.0 0.0 5.61 404 386 A 62 LEU H A 38 TRP HZ2 1.0 0.0 5.85 405 387 A 61 ARG H A 38 TRP HZ2 1.0 0.0 5.80 406 388 A 60 ARG H A 61 ARG H 1.0 0.0 5.88 407 389 A 60 ARG H A 60 ARG HGx 1.0 0.0 4.98 408 390 A 59 HIS HB2 A 60 ARG H 1.0 0.0 5.97 409 391 A 59 HIS H A 60 ARG H 1.0 0.0 5.71 410 392 A 59 HIS H A 58 PRO HDx 1.0 0.0 5.22 411 393 A 50 PHE H A 48 SER HBx 1.0 0.0 5.80 412 394 A 50 PHE H A 48 SER HA 1.0 0.0 5.81 413 395 A 48 SER H A 50 PHE H 1.0 0.0 5.46 414 396 A 48 SER H A 49 ASP H 1.0 0.0 5.72 415 397 A 47 GLU H A 48 SER H 1.0 0.0 5.43 416 398 A 39 TYR HD% A 45 VAL H 1.0 0.0 5.85 417 399 A 39 TYR HB3 A 43 GLN H 1.0 0.0 5.33 418 400 A 39 TYR HA A 43 GLN H 1.0 0.0 5.70 419 401 A 43 GLN H A 40 LYS HA 1.0 0.0 6.30 420 402 A 39 TYR H A 76 GLN HBy 1.0 0.0 5.87 421 403 A 39 TYR H A 75 PHE HA 1.0 0.0 5.68 422 404 A 39 TYR H A 40 LYS H 1.0 0.0 5.82 423 405 A 39 TYR H A 78 VAL H 1.0 0.0 6.30 424 406 A 36 VAL H A 60 ARG HE 1.0 0.0 5.63 425 407 A 28 GLU H A 29 VAL HG1% 1.0 0.0 5.94 426 408 A 17 ALA HB% A 19 THR H 1.0 0.0 6.30 427 409 A 18 ILE H A 90 ILE HD1% 1.0 0.0 6.18 428 410 A 17 ALA H A 23 VAL HG1% 1.0 0.0 6.30 429 411 A 17 ALA H A 90 ILE HD1% 1.0 0.0 6.30 430 412 A 17 ALA H A 16 HIS HD2 1.0 0.0 5.74 431 413 A 10 ARG H A 10 ARG HGx 1.0 0.0 4.78 432 414 A 10 ARG H A 10 ARG HGy 1.0 0.0 4.78 433 415 A 10 ARG H A 11 GLU HG2 1.0 0.0 5.64 434 415 A 10 ARG H A 11 GLU HG3 1.0 0.0 5.64 435 416 A 4 VAL H A 5 HIS H 1.0 0.0 5.83 436 417 A 5 HIS H A 30 ASP H 1.0 0.0 4.70 437 418 A 15 VAL H A 16 HIS H 1.0 0.0 5.82 438 419 A 14 PHE H A 15 VAL H 1.0 0.0 5.71 439 420 A 6 ILE HA A 30 ASP H 1.0 0.0 5.76 440 421 A 78 VAL HB A 37 ARG HE 1.0 0.0 5.45 441 422 A 40 LYS H A 42 GLY H 1.0 0.0 5.50 442 423 A 44 GLU H A 39 TYR HE% 1.0 0.0 5.68 443 424 A 47 GLU H A 47 GLU HGx 1.0 0.0 4.91 444 425 A 52 VAL H A 65 PRO HDx 1.0 0.0 5.68 445 426 A 4 VAL H A 3 PRO HA 1.0 0.0 3.40 446 427 A 32 GLU HA A 58 PRO HA 1.0 0.0 4.03 447 428 A 29 VAL HG2% A 58 PRO HA 1.0 0.0 4.43 448 429 A 2 MET HA A 3 PRO HDy 1.0 0.0 3.94 449 430 A 64 LEU HA A 65 PRO HDx 1.0 0.0 3.97 450 431 A 2 MET HA A 3 PRO HDx 1.0 0.0 3.94 451 432 A 51 VAL HA A 65 PRO HDx 1.0 0.0 4.98 452 433 A 6 ILE HG2% A 9 PRO HD2 1.0 0.0 4.66 453 434 A 52 VAL HG1% A 65 PRO HDx 1.0 0.0 6.30 454 435 A 64 LEU HD1% A 65 PRO HDx 1.0 0.0 5.33 455 436 A 4 VAL H A 4 VAL HG1% 1.0 0.0 4.21 456 437 A 4 VAL HG1% A 79 ALA HA 1.0 0.0 5.30 457 438 A 4 VAL HG1% A 80 GLY HAy 1.0 0.0 5.02 458 439 A 4 VAL HG2% A 30 ASP H 1.0 0.0 4.86 459 440 A 4 VAL HG2% A 31 ARG H 1.0 0.0 4.88 460 441 A 4 VAL HG2% A 4 VAL HA 1.0 0.0 4.17 461 442 A 4 VAL HG2% A 29 VAL HB 1.0 0.0 4.18 462 443 A 4 VAL HB A 34 ALA HB% 1.0 0.0 4.59 463 444 A 68 GLN HA A 69 PRO HD2 1.0 0.0 3.51 464 444 A 69 PRO HD3 A 68 GLN HA 1.0 0.0 3.51 465 445 A 6 ILE H A 6 ILE HD1% 1.0 0.0 4.85 466 446 A 83 CYS HA A 6 ILE HD1% 1.0 0.0 4.32 467 447 A 82 GLU HA A 6 ILE HD1% 1.0 0.0 5.75 468 448 A 6 ILE HD1% A 84 ALA HA 1.0 0.0 5.43 469 449 A 78 VAL HA A 6 ILE HD1% 1.0 0.0 5.17 470 450 A 6 ILE HA A 6 ILE HD1% 1.0 0.0 4.56 471 451 A 6 ILE HD1% A 82 GLU HBy 1.0 0.0 4.63 472 452 A 6 ILE HD1% A 82 GLU HBx 1.0 0.0 4.63 473 453 A 6 ILE HB A 6 ILE HD1% 1.0 0.0 4.05 474 454 A 28 GLU H A 6 ILE HG2% 1.0 0.0 5.06 475 455 A 90 ILE HG2% A 68 GLN H 1.0 0.0 5.68 476 456 A 7 VAL H A 6 ILE HG2% 1.0 0.0 4.44 477 457 A 6 ILE HA A 6 ILE HG2% 1.0 0.0 3.94 478 458 A 6 ILE HG2% A 27 CYS HB2 1.0 0.0 5.26 479 458 A 6 ILE HG2% A 27 CYS HB3 1.0 0.0 5.26 480 459 A 7 VAL HG1% A 7 VAL HA 1.0 0.0 3.85 481 460 A 7 VAL HG2% A 7 VAL HA 1.0 0.0 4.00 482 461 A 7 VAL HG2% A 29 VAL HA 1.0 0.0 4.65 483 462 A 7 VAL HG2% A 30 ASP HA 1.0 0.0 4.53 484 463 A 6 ILE HA A 7 VAL HG2% 1.0 0.0 4.91 485 464 A 7 VAL HG2% A 30 ASP HBy 1.0 0.0 4.83 486 465 A 7 VAL HG2% A 8 ASP HB3 1.0 0.0 4.65 487 466 A 7 VAL HG2% A 30 ASP HBx 1.0 0.0 4.83 488 467 A 7 VAL H A 7 VAL HG1% 1.0 0.0 4.69 489 468 A 45 VAL HG1% A 62 LEU HD1% 1.0 0.0 3.96 490 469 A 8 ASP HB3 A 7 VAL HG1% 1.0 0.0 5.78 491 470 A 28 GLU H A 8 ASP HB2 1.0 0.0 6.15 492 471 A 7 VAL HB A 8 ASP HB2 1.0 0.0 4.48 493 472 A 7 VAL HG2% A 8 ASP HB2 1.0 0.0 5.52 494 473 A 9 PRO HA A 8 ASP HA 1.0 0.0 3.53 495 474 A 9 PRO HA A 8 ASP HB2 1.0 0.0 5.28 496 475 A 13 VAL HG1% A 9 PRO HBx 1.0 0.0 6.01 497 476 A 84 ALA HB% A 9 PRO HGy 1.0 0.0 4.63 498 477 A 86 PHE HE% A 9 PRO HD3 1.0 0.0 5.46 499 478 A 9 PRO HD3 A 27 CYS HB2 1.0 0.0 5.07 500 478 A 27 CYS HB3 A 9 PRO HD3 1.0 0.0 5.07 501 479 A 84 ALA HB% A 9 PRO HD3 1.0 0.0 4.89 502 480 A 6 ILE HG2% A 9 PRO HD3 1.0 0.0 5.31 503 481 A 13 VAL HG2% A 9 PRO HGx 1.0 0.0 4.53 504 482 A 22 CYS H A 21 GLU HA 1.0 0.0 3.62 505 483 A 10 ARG HA A 10 ARG HDx 1.0 0.0 4.69 506 484 A 32 GLU H A 31 ARG HG2 1.0 0.0 5.65 507 484 A 32 GLU H A 31 ARG HG3 1.0 0.0 5.65 508 485 A 69 PRO HD3 A 68 GLN HBx 1.0 0.0 4.51 509 485 A 68 GLN HBx A 69 PRO HD2 1.0 0.0 4.51 510 486 A 10 ARG HA A 10 ARG HDy 1.0 0.0 4.69 511 487 A 48 SER H A 47 GLU HBy 1.0 0.0 5.38 512 488 A 36 VAL HG2% A 60 ARG HBy 1.0 0.0 4.83 513 489 A 12 HIS HA A 85 TYR HBy 1.0 0.0 5.04 514 490 A 12 HIS HA A 85 TYR HBx 1.0 0.0 5.04 515 491 A 13 VAL HG2% A 12 HIS HA 1.0 0.0 5.11 516 492 A 90 ILE HA A 90 ILE HG2% 1.0 0.0 4.14 517 493 A 13 VAL HG2% A 86 PHE HE% 1.0 0.0 4.83 518 494 A 13 VAL HG2% A 86 PHE HD% 1.0 0.0 5.24 519 495 A 13 VAL HG2% A 13 VAL HA 1.0 0.0 3.77 520 496 A 13 VAL HG2% A 9 PRO HBy 1.0 0.0 4.28 521 497 A 13 VAL HG2% A 9 PRO HBx 1.0 0.0 4.28 522 498 A 13 VAL HG2% A 9 PRO HGy 1.0 0.0 4.53 523 499 A 86 PHE HE% A 84 ALA HB% 1.0 0.0 4.20 524 500 A 13 VAL HG1% A 86 PHE HD% 1.0 0.0 4.17 525 501 A 13 VAL HG1% A 13 VAL HA 1.0 0.0 3.90 526 502 A 13 VAL HG1% A 15 VAL HG2% 1.0 0.0 3.43 527 503 A 17 ALA HB% A 88 VAL HG1% 1.0 0.0 3.82 528 504 A 6 ILE HG2% A 84 ALA HB% 1.0 0.0 3.90 529 505 A 13 VAL HB A 86 PHE HE% 1.0 0.0 5.47 530 506 A 86 PHE HA A 13 VAL HB 1.0 0.0 4.59 531 507 A 15 VAL HG2% A 14 PHE HA 1.0 0.0 5.18 532 508 A 15 VAL HA A 15 VAL HG1% 1.0 0.0 3.75 533 509 A 78 VAL HA A 78 VAL HG1% 1.0 0.0 3.92 534 510 A 39 TYR HA A 45 VAL HG2% 1.0 0.0 4.42 535 511 A 79 ALA HB% A 6 ILE HD1% 1.0 0.0 3.51 536 512 A 15 VAL HG1% A 25 LEU HD2% 1.0 0.0 4.19 537 513 A 15 VAL HG2% A 88 VAL HA 1.0 0.0 5.25 538 514 A 15 VAL HG2% A 15 VAL HA 1.0 0.0 3.94 539 515 A 15 VAL HG2% A 25 LEU HD2% 1.0 0.0 3.71 540 516 A 15 VAL HB A 88 VAL HA 1.0 0.0 4.11 541 517 A 16 HIS HA A 90 ILE HA 1.0 0.0 6.30 542 518 A 16 HIS HA A 89 THR HG2% 1.0 0.0 5.58 543 519 A 16 HIS HA A 17 ALA HB% 1.0 0.0 5.19 544 520 A 15 VAL HG1% A 16 HIS HA 1.0 0.0 5.45 545 521 A 16 HIS HA A 88 VAL HG1% 1.0 0.0 5.43 546 522 A 15 VAL HG1% A 17 ALA HB% 1.0 0.0 4.26 547 523 A 17 ALA HB% A 23 VAL HG1% 1.0 0.0 4.44 548 524 A 85 TYR H A 84 ALA HA 1.0 0.0 3.31 549 525 A 18 ILE HB A 21 GLU H 1.0 0.0 5.29 550 526 A 72 GLY H A 70 SER HA 1.0 0.0 5.05 551 527 A 17 ALA HB% A 18 ILE HA 1.0 0.0 5.32 552 528 A 18 ILE HB A 18 ILE HD1% 1.0 0.0 4.28 553 529 A 18 ILE HG2% A 18 ILE HA 1.0 0.0 3.90 554 530 A 18 ILE HG2% A 19 THR HB 1.0 0.0 5.32 555 531 A 18 ILE H A 18 ILE HG1x 1.0 0.0 4.87 556 532 A 18 ILE HG2% A 18 ILE HG1x 1.0 0.0 4.29 557 533 A 52 VAL HA A 53 LEU HG 1.0 0.0 5.73 558 534 A 51 VAL HG1% A 53 LEU HG 1.0 0.0 5.13 559 535 A 19 THR HG2% A 20 SER H 1.0 0.0 4.66 560 536 A 84 ALA HB% A 84 ALA H 1.0 0.0 3.82 561 537 A 19 THR HG2% A 68 GLN HA 1.0 0.0 4.66 562 538 A 19 THR HG2% A 19 THR HA 1.0 0.0 3.78 563 539 A 84 ALA HB% A 6 ILE HD1% 1.0 0.0 3.77 564 540 A 17 ALA HB% A 21 GLU HBy 1.0 0.0 5.93 565 541 A 18 ILE HG2% A 21 GLU HGx 1.0 0.0 5.19 566 542 A 17 ALA HB% A 21 GLU HBx 1.0 0.0 5.93 567 543 A 23 VAL H A 22 CYS HA 1.0 0.0 3.50 568 544 A 28 GLU HA A 59 HIS HA 1.0 0.0 4.13 569 545 A 23 VAL HA A 22 CYS HA 1.0 0.0 5.10 570 546 A 23 VAL H A 22 CYS HBx 1.0 0.0 4.92 571 547 A 22 CYS H A 22 CYS HBy 1.0 0.0 4.34 572 548 A 23 VAL H A 22 CYS HBy 1.0 0.0 4.92 573 549 A 63 VAL H A 63 VAL HG2% 1.0 0.0 4.22 574 550 A 23 VAL HG1% A 64 LEU H 1.0 0.0 4.97 575 551 A 63 VAL HG2% A 63 VAL HA 1.0 0.0 3.65 576 552 A 23 VAL HG1% A 23 VAL HA 1.0 0.0 3.90 577 553 A 52 VAL HG1% A 65 PRO HDy 1.0 0.0 6.30 578 554 A 23 VAL HG1% A 25 LEU HD2% 1.0 0.0 3.54 579 555 A 88 VAL HG2% A 88 VAL HA 1.0 0.0 3.97 580 556 A 23 VAL HG2% A 23 VAL HA 1.0 0.0 3.81 581 557 A 15 VAL HB A 88 VAL HG2% 1.0 0.0 4.14 582 558 A 17 ALA HB% A 23 VAL HG2% 1.0 0.0 3.60 583 559 A 88 VAL HG2% A 25 LEU HD1% 1.0 0.0 4.04 584 560 A 24 MET HA A 64 LEU H 1.0 0.0 4.80 585 561 A 24 MET HA A 63 VAL HA 1.0 0.0 4.07 586 562 A 23 VAL HG1% A 24 MET HA 1.0 0.0 4.80 587 563 A 24 MET HA A 63 VAL HG2% 1.0 0.0 5.16 588 564 A 25 LEU H A 24 MET HGy 1.0 0.0 5.47 589 565 A 63 VAL HG2% A 24 MET HGy 1.0 0.0 4.34 590 566 A 63 VAL HG2% A 24 MET HE% 1.0 0.0 3.97 591 567 A 25 LEU H A 24 MET HGx 1.0 0.0 5.47 592 568 A 63 VAL HG2% A 24 MET HGx 1.0 0.0 4.34 593 569 A 25 LEU HD1% A 86 PHE HBy 1.0 0.0 4.94 594 570 A 23 VAL HG1% A 25 LEU HD1% 1.0 0.0 4.91 595 571 A 25 LEU HB3 A 38 TRP HH2 1.0 0.0 4.83 596 572 A 25 LEU H A 25 LEU HD2% 1.0 0.0 5.32 597 573 A 86 PHE HE% A 25 LEU HD2% 1.0 0.0 5.34 598 574 A 25 LEU HA A 25 LEU HD2% 1.0 0.0 3.75 599 575 A 25 LEU HD2% A 86 PHE HBy 1.0 0.0 5.04 600 576 A 25 LEU HD2% A 86 PHE HBx 1.0 0.0 5.04 601 577 A 25 LEU HD2% A 88 VAL HG2% 1.0 0.0 3.48 602 578 A 38 TRP HH2 A 25 LEU HB2 1.0 0.0 4.88 603 579 A 53 LEU HB2 A 53 LEU HD1% 1.0 0.0 4.18 604 580 A 26 ALA HB% A 25 LEU HA 1.0 0.0 5.31 605 581 A 26 ALA HA A 61 ARG HA 1.0 0.0 4.21 606 582 A 27 CYS HA A 9 PRO HD3 1.0 0.0 4.21 607 583 A 27 CYS HA A 9 PRO HD2 1.0 0.0 4.67 608 584 A 38 TRP HB2 A 45 VAL HB 1.0 0.0 4.79 609 585 A 84 ALA HB% A 27 CYS HB2 1.0 0.0 5.02 610 585 A 27 CYS HB3 A 84 ALA HB% 1.0 0.0 5.02 611 586 A 28 GLU HA A 60 ARG H 1.0 0.0 5.44 612 587 A 28 GLU HA A 29 VAL HG2% 1.0 0.0 5.26 613 588 A 7 VAL HB A 8 ASP HB3 1.0 0.0 5.13 614 589 A 8 ASP HB3 A 28 GLU HBx 1.0 0.0 5.50 615 590 A 29 VAL HG2% A 28 GLU HGy 1.0 0.0 5.94 616 591 A 7 VAL H A 29 VAL HA 1.0 0.0 4.33 617 592 A 6 ILE HA A 29 VAL HA 1.0 0.0 4.04 618 593 A 29 VAL HG2% A 60 ARG HE 1.0 0.0 6.00 619 594 A 29 VAL HG2% A 30 ASP HA 1.0 0.0 5.00 620 595 A 29 VAL HG2% A 34 ALA HB% 1.0 0.0 4.05 621 596 A 29 VAL HG1% A 29 VAL HA 1.0 0.0 3.85 622 597 A 6 ILE HA A 29 VAL HG1% 1.0 0.0 4.48 623 598 A 29 VAL HG1% A 34 ALA HB% 1.0 0.0 4.58 624 599 A 7 VAL HG1% A 30 ASP HA 1.0 0.0 5.29 625 600 A 34 ALA H A 31 ARG HG2 1.0 0.0 5.30 626 600 A 31 ARG HG3 A 34 ALA H 1.0 0.0 5.30 627 601 A 31 ARG H A 31 ARG HG2 1.0 0.0 4.80 628 601 A 31 ARG H A 31 ARG HG3 1.0 0.0 4.80 629 602 A 4 VAL HA A 31 ARG HG2 1.0 0.0 5.42 630 602 A 4 VAL HA A 31 ARG HG3 1.0 0.0 5.42 631 603 A 34 ALA HB% A 31 ARG HG2 1.0 0.0 4.33 632 603 A 31 ARG HG3 A 34 ALA HB% 1.0 0.0 4.33 633 604 A 31 ARG H A 32 GLU HA 1.0 0.0 5.30 634 605 A 29 VAL HG2% A 32 GLU HA 1.0 0.0 4.90 635 606 A 46 GLU H A 46 GLU HG2 1.0 0.0 4.83 636 606 A 46 GLU H A 46 GLU HG3 1.0 0.0 4.83 637 607 A 46 GLU HA A 46 GLU HG2 1.0 0.0 4.40 638 607 A 46 GLU HA A 46 GLU HG3 1.0 0.0 4.40 639 608 A 18 ILE HG2% A 21 GLU HGy 1.0 0.0 5.19 640 609 A 31 ARG H A 34 ALA HB% 1.0 0.0 4.87 641 610 A 34 ALA HB% A 35 PRO HDx 1.0 0.0 4.95 642 611 A 34 ALA HB% A 31 ARG HBx 1.0 0.0 4.71 643 612 A 4 VAL HG2% A 34 ALA HB% 1.0 0.0 3.49 644 613 A 4 VAL HG1% A 34 ALA HB% 1.0 0.0 3.96 645 614 A 34 ALA HA A 35 PRO HGy 1.0 0.0 5.84 646 615 A 34 ALA HA A 35 PRO HGx 1.0 0.0 5.84 647 616 A 34 ALA HA A 35 PRO HDy 1.0 0.0 3.75 648 617 A 34 ALA HB% A 35 PRO HDy 1.0 0.0 4.95 649 618 A 34 ALA HA A 35 PRO HDx 1.0 0.0 3.75 650 619 A 36 VAL HA A 36 VAL HG1% 1.0 0.0 3.83 651 620 A 36 VAL H A 36 VAL HG1% 1.0 0.0 4.62 652 621 A 60 ARG HE A 36 VAL HG1% 1.0 0.0 5.06 653 622 A 79 ALA HB% A 36 VAL HG1% 1.0 0.0 3.68 654 623 A 36 VAL HG2% A 38 TRP HD1 1.0 0.0 4.64 655 624 A 36 VAL HG2% A 60 ARG HE 1.0 0.0 5.24 656 625 A 36 VAL HG2% A 60 ARG HDx 1.0 0.0 5.01 657 626 A 36 VAL HB A 79 ALA HB% 1.0 0.0 5.23 658 627 A 37 ARG H A 37 ARG HGy 1.0 0.0 5.68 659 628 A 24 MET HE% A 61 ARG HDy 1.0 0.0 5.25 660 629 A 38 TRP HA A 78 VAL H 1.0 0.0 5.17 661 630 A 38 TRP HZ3 A 38 TRP HA 1.0 0.0 5.27 662 631 A 38 TRP HA A 39 TYR HD% 1.0 0.0 5.51 663 632 A 38 TRP HA A 77 CYS HA 1.0 0.0 4.18 664 633 A 38 TRP HB3 A 38 TRP HZ3 1.0 0.0 5.65 665 634 A 38 TRP HB3 A 62 LEU HD1% 1.0 0.0 5.03 666 635 A 38 TRP HZ3 A 27 CYS HB2 1.0 0.0 5.83 667 635 A 27 CYS HB3 A 38 TRP HZ3 1.0 0.0 5.83 668 636 A 38 TRP HB2 A 53 LEU HD1% 1.0 0.0 5.63 669 637 A 29 VAL HG1% A 27 CYS HB2 1.0 0.0 5.22 670 637 A 27 CYS HB3 A 29 VAL HG1% 1.0 0.0 5.22 671 638 A 39 TYR HA A 44 GLU HA 1.0 0.0 3.95 672 639 A 71 ASP HA A 40 LYS HEx 1.0 0.0 4.87 673 640 A 39 TYR HB2 A 76 GLN HBx 1.0 0.0 5.10 674 641 A 67 THR HG2% A 64 LEU HD1% 1.0 0.0 5.24 675 642 A 75 PHE HE% A 40 LYS HEy 1.0 0.0 5.61 676 643 A 75 PHE HE% A 40 LYS HEx 1.0 0.0 5.61 677 644 A 45 VAL HG2% A 40 LYS HBx 1.0 0.0 4.99 678 645 A 44 GLU HA A 45 VAL HG2% 1.0 0.0 5.31 679 646 A 45 VAL H A 44 GLU HB2 1.0 0.0 5.19 680 646 A 44 GLU HB3 A 45 VAL H 1.0 0.0 5.19 681 647 A 45 VAL HG2% A 45 VAL H 1.0 0.0 4.01 682 648 A 45 VAL HG2% A 75 PHE HE% 1.0 0.0 4.90 683 649 A 45 VAL HG2% A 45 VAL HA 1.0 0.0 4.03 684 650 A 38 TRP HB3 A 45 VAL HG2% 1.0 0.0 4.51 685 651 A 45 VAL HG2% A 40 LYS HBy 1.0 0.0 4.99 686 652 A 45 VAL HG2% A 62 LEU HD1% 1.0 0.0 4.17 687 653 A 45 VAL H A 45 VAL HG1% 1.0 0.0 4.82 688 654 A 46 GLU H A 45 VAL HG1% 1.0 0.0 4.43 689 655 A 38 TRP HB3 A 45 VAL HB 1.0 0.0 4.66 690 656 A 47 GLU H A 46 GLU HBy 1.0 0.0 5.01 691 657 A 47 GLU HA A 51 VAL HG1% 1.0 0.0 4.73 692 658 A 48 SER H A 47 GLU HBx 1.0 0.0 5.38 693 659 A 52 VAL HA A 47 GLU HGy 1.0 0.0 5.64 694 660 A 53 LEU HG A 47 GLU HGy 1.0 0.0 5.16 695 661 A 53 LEU HD1% A 47 GLU HGy 1.0 0.0 5.33 696 662 A 53 LEU HG A 47 GLU HGx 1.0 0.0 5.16 697 663 A 53 LEU HD1% A 47 GLU HGx 1.0 0.0 5.33 698 664 A 51 VAL HG2% A 50 PHE HBx 1.0 0.0 5.44 699 665 A 51 VAL H A 50 PHE HBy 1.0 0.0 5.95 700 666 A 52 VAL H A 51 VAL HA 1.0 0.0 3.69 701 667 A 51 VAL HG1% A 51 VAL HA 1.0 0.0 4.24 702 668 A 51 VAL HG1% A 52 VAL H 1.0 0.0 5.10 703 669 A 52 VAL HG1% A 52 VAL H 1.0 0.0 5.62 704 670 A 52 VAL H A 52 VAL HG2% 1.0 0.0 4.30 705 671 A 51 VAL HG2% A 51 VAL HA 1.0 0.0 4.08 706 672 A 47 GLU HA A 51 VAL HB 1.0 0.0 4.56 707 673 A 52 VAL HA A 52 VAL HG2% 1.0 0.0 3.56 708 674 A 48 SER H A 51 VAL HG1% 1.0 0.0 4.99 709 675 A 51 VAL HG1% A 62 LEU HD2% 1.0 0.0 3.99 710 676 A 52 VAL HG2% A 65 PRO HDy 1.0 0.0 5.28 711 677 A 52 VAL HG2% A 63 VAL HB 1.0 0.0 4.23 712 678 A 64 LEU HA A 64 LEU HD2% 1.0 0.0 4.04 713 679 A 23 VAL H A 64 LEU HBx 1.0 0.0 5.28 714 680 A 53 LEU HD1% A 53 LEU HB3 1.0 0.0 4.06 715 681 A 64 LEU HD1% A 64 LEU HBx 1.0 0.0 4.36 716 682 A 38 TRP HE1 A 53 LEU HD2% 1.0 0.0 5.12 717 683 A 53 LEU HD2% A 63 VAL H 1.0 0.0 5.10 718 684 A 53 LEU H A 53 LEU HD2% 1.0 0.0 5.10 719 685 A 53 LEU HA A 53 LEU HD2% 1.0 0.0 3.86 720 686 A 62 LEU HA A 53 LEU HD2% 1.0 0.0 4.08 721 687 A 53 LEU HD2% A 62 LEU HBx 1.0 0.0 4.83 722 688 A 19 THR HG2% A 69 PRO HD2 1.0 0.0 4.97 723 688 A 19 THR HG2% A 69 PRO HD3 1.0 0.0 4.97 724 689 A 60 ARG HA A 60 ARG HDy 1.0 0.0 4.84 725 690 A 36 VAL HG2% A 60 ARG HBx 1.0 0.0 4.83 726 691 A 36 VAL HG2% A 60 ARG HDy 1.0 0.0 5.01 727 692 A 60 ARG HA A 60 ARG HDx 1.0 0.0 4.84 728 693 A 26 ALA HA A 61 ARG HGx 1.0 0.0 5.60 729 694 A 63 VAL HG2% A 61 ARG HDy 1.0 0.0 5.58 730 695 A 53 LEU HA A 62 LEU HA 1.0 0.0 4.56 731 696 A 62 LEU HA A 62 LEU HG 1.0 0.0 4.37 732 697 A 53 LEU HD2% A 62 LEU HG 1.0 0.0 4.60 733 698 A 63 VAL H A 62 LEU HD2% 1.0 0.0 5.03 734 699 A 75 PHE HE% A 62 LEU HD2% 1.0 0.0 4.92 735 700 A 62 LEU HD2% A 51 VAL HA 1.0 0.0 5.60 736 701 A 63 VAL HA A 62 LEU HD2% 1.0 0.0 5.79 737 702 A 62 LEU HA A 62 LEU HD2% 1.0 0.0 5.01 738 703 A 64 LEU HG A 62 LEU HD2% 1.0 0.0 4.04 739 704 A 62 LEU HD2% A 64 LEU HD2% 1.0 0.0 3.68 740 705 A 62 LEU HD2% A 25 LEU HD1% 1.0 0.0 3.91 741 706 A 75 PHE HE% A 62 LEU HD1% 1.0 0.0 4.96 742 707 A 62 LEU HA A 62 LEU HD1% 1.0 0.0 4.73 743 708 A 38 TRP HB2 A 62 LEU HD1% 1.0 0.0 4.70 744 709 A 62 LEU HD1% A 62 LEU HBy 1.0 0.0 4.20 745 710 A 62 LEU HD1% A 62 LEU HBx 1.0 0.0 4.20 746 711 A 64 LEU HA A 51 VAL HA 1.0 0.0 4.94 747 712 A 64 LEU HD1% A 64 LEU HA 1.0 0.0 5.13 748 713 A 64 LEU HD1% A 71 ASP HB2 1.0 0.0 4.68 749 713 A 64 LEU HD1% A 71 ASP HB3 1.0 0.0 4.68 750 714 A 23 VAL H A 64 LEU HBy 1.0 0.0 5.28 751 715 A 64 LEU HD1% A 64 LEU HBy 1.0 0.0 4.36 752 716 A 22 CYS HA A 65 PRO HA 1.0 0.0 4.68 753 717 A 64 LEU HD1% A 65 PRO HA 1.0 0.0 5.30 754 718 A 52 VAL H A 65 PRO HDy 1.0 0.0 5.68 755 719 A 64 LEU HA A 65 PRO HDy 1.0 0.0 3.97 756 720 A 51 VAL HA A 65 PRO HDy 1.0 0.0 4.98 757 721 A 64 LEU HD1% A 65 PRO HDy 1.0 0.0 5.33 758 722 A 66 ALA HB% A 65 PRO HB2 1.0 0.0 5.37 759 723 A 64 LEU HD1% A 65 PRO HB2 1.0 0.0 5.08 760 724 A 64 LEU HD1% A 65 PRO HGx 1.0 0.0 4.58 761 725 A 66 ALA HB% A 20 SER HA 1.0 0.0 4.42 762 726 A 67 THR HB A 68 GLN H 1.0 0.0 4.86 763 727 A 20 SER H A 67 THR HB 1.0 0.0 6.30 764 728 A 67 THR HB A 71 ASP HB2 1.0 0.0 5.85 765 728 A 67 THR HB A 71 ASP HB3 1.0 0.0 5.85 766 729 A 23 VAL HG2% A 67 THR HB 1.0 0.0 5.41 767 730 A 90 ILE HG2% A 67 THR HB 1.0 0.0 5.95 768 731 A 67 THR HG2% A 68 GLN H 1.0 0.0 4.73 769 732 A 67 THR HG2% A 22 CYS HA 1.0 0.0 5.67 770 733 A 67 THR HG2% A 19 THR HA 1.0 0.0 5.90 771 734 A 67 THR HG2% A 71 ASP HB2 1.0 0.0 4.26 772 734 A 67 THR HG2% A 71 ASP HB3 1.0 0.0 4.26 773 735 A 23 VAL HG2% A 67 THR HG2% 1.0 0.0 3.72 774 736 A 88 VAL HG1% A 67 THR HG2% 1.0 0.0 4.23 775 737 A 67 THR HG2% A 90 ILE HD1% 1.0 0.0 3.56 776 738 A 69 PRO HD3 A 68 GLN HBy 1.0 0.0 4.51 777 738 A 68 GLN HBy A 69 PRO HD2 1.0 0.0 4.51 778 739 A 69 PRO HA A 90 ILE HB 1.0 0.0 4.66 779 740 A 90 ILE HG2% A 69 PRO HA 1.0 0.0 4.44 780 741 A 88 VAL HB A 72 GLY HAx 1.0 0.0 5.21 781 742 A 88 VAL HG1% A 72 GLY HAx 1.0 0.0 4.78 782 743 A 88 VAL HB A 72 GLY HAy 1.0 0.0 5.21 783 744 A 75 PHE HD% A 74 GLU HA 1.0 0.0 5.52 784 745 A 74 GLU HA A 87 THR HG2% 1.0 0.0 5.39 785 746 A 75 PHE HA A 40 LYS HA 1.0 0.0 4.23 786 747 A 25 LEU HD1% A 75 PHE HBx 1.0 0.0 4.79 787 748 A 25 LEU HD1% A 75 PHE HBy 1.0 0.0 4.79 788 749 A 86 PHE H A 76 GLN HA 1.0 0.0 5.69 789 750 A 76 GLN HA A 86 PHE HD% 1.0 0.0 5.20 790 751 A 79 ALA H A 78 VAL HG1% 1.0 0.0 4.34 791 752 A 78 VAL HG2% A 78 VAL HA 1.0 0.0 3.92 792 753 A 78 VAL HB A 37 ARG HBx 1.0 0.0 4.96 793 754 A 36 VAL HG1% A 79 ALA HA 1.0 0.0 4.50 794 755 A 4 VAL HG1% A 80 GLY HAx 1.0 0.0 5.02 795 756 A 82 GLU H A 82 GLU HGy 1.0 0.0 5.29 796 757 A 83 CYS H A 82 GLU HGy 1.0 0.0 5.57 797 758 A 83 CYS HA A 78 VAL HA 1.0 0.0 4.00 798 759 A 78 VAL HG2% A 83 CYS HA 1.0 0.0 4.83 799 760 A 84 ALA H A 83 CYS HB2 1.0 0.0 4.58 800 760 A 83 CYS HB3 A 84 ALA H 1.0 0.0 4.58 801 761 A 82 GLU HA A 83 CYS HB2 1.0 0.0 5.82 802 761 A 82 GLU HA A 83 CYS HB3 1.0 0.0 5.82 803 762 A 84 ALA HA A 83 CYS HB2 1.0 0.0 6.30 804 762 A 83 CYS HB3 A 84 ALA HA 1.0 0.0 6.30 805 763 A 78 VAL HA A 83 CYS HB2 1.0 0.0 4.79 806 763 A 78 VAL HA A 83 CYS HB3 1.0 0.0 4.79 807 764 A 78 VAL HG2% A 83 CYS HB2 1.0 0.0 4.11 808 764 A 78 VAL HG2% A 83 CYS HB3 1.0 0.0 4.11 809 765 A 84 ALA HB% A 9 PRO HD2 1.0 0.0 4.15 810 766 A 84 ALA HB% A 9 PRO HGx 1.0 0.0 4.63 811 767 A 13 VAL HG2% A 86 PHE HA 1.0 0.0 6.22 812 768 A 86 PHE HA A 15 VAL HG2% 1.0 0.0 6.30 813 769 A 25 LEU HD1% A 86 PHE HBx 1.0 0.0 4.94 814 770 A 87 THR HB A 14 PHE HE% 1.0 0.0 5.23 815 771 A 14 PHE HA A 87 THR HB 1.0 0.0 4.24 816 772 A 75 PHE H A 87 THR HA 1.0 0.0 5.23 817 773 A 87 THR HA A 88 VAL HG2% 1.0 0.0 5.60 818 774 A 87 THR HG2% A 14 PHE HE% 1.0 0.0 5.52 819 775 A 87 THR HG2% A 87 THR HA 1.0 0.0 4.04 820 776 A 88 VAL HA A 89 THR HA 1.0 0.0 4.75 821 777 A 15 VAL HG1% A 88 VAL HA 1.0 0.0 4.88 822 778 A 88 VAL HG1% A 88 VAL HA 1.0 0.0 3.96 823 779 A 89 THR H A 89 THR HB 1.0 0.0 4.41 824 780 A 90 ILE H A 89 THR HB 1.0 0.0 4.56 825 781 A 16 HIS HA A 89 THR HB 1.0 0.0 5.00 826 782 A 89 THR HG2% A 89 THR H 1.0 0.0 4.87 827 783 A 89 THR HG2% A 89 THR HA 1.0 0.0 3.84 828 784 A 17 ALA HB% A 90 ILE HB 1.0 0.0 5.29 829 785 A 90 ILE HA A 90 ILE HD1% 1.0 0.0 4.76 830 786 A 69 PRO HA A 90 ILE HD1% 1.0 0.0 4.66 831 787 A 67 THR HB A 90 ILE HD1% 1.0 0.0 4.44 832 788 A 19 THR HA A 90 ILE HD1% 1.0 0.0 4.59 833 789 A 90 ILE HD1% A 71 ASP HB2 1.0 0.0 4.82 834 789 A 71 ASP HB3 A 90 ILE HD1% 1.0 0.0 4.82 835 790 A 17 ALA HB% A 90 ILE HD1% 1.0 0.0 4.28 836 791 A 90 ILE HG2% A 19 THR HA 1.0 0.0 4.81 837 792 A 88 VAL HG1% A 90 ILE HG1y 1.0 0.0 4.69 838 793 A 89 THR HA A 90 ILE HB 1.0 0.0 5.80 839 794 A 90 ILE H A 90 ILE HG1y 1.0 0.0 5.81 840 795 A 88 VAL HG1% A 90 ILE HG1x 1.0 0.0 4.69 841 796 A 90 ILE H A 90 ILE HG1x 1.0 0.0 5.81 842 797 A 18 ILE H A 90 ILE HG2% 1.0 0.0 5.99 843 798 A 68 GLN H A 90 ILE HD1% 1.0 0.0 5.89 844 799 A 88 VAL HG1% A 25 LEU HD2% 1.0 0.0 4.68 845 800 A 88 VAL HG1% A 25 LEU HD1% 1.0 0.0 5.38 846 801 A 88 VAL HG1% A 88 VAL H 1.0 0.0 6.30 847 802 A 88 VAL HG1% A 75 PHE HE% 1.0 0.0 5.29 848 803 A 88 VAL HG1% A 72 GLY HAy 1.0 0.0 4.78 849 804 A 88 VAL HB A 87 THR HG2% 1.0 0.0 5.61 850 805 A 15 VAL H A 88 VAL HA 1.0 0.0 4.94 851 806 A 88 VAL HA A 89 THR HB 1.0 0.0 5.67 852 807 A 74 GLU H A 87 THR HA 1.0 0.0 6.08 853 808 A 16 HIS HD2 A 89 THR HB 1.0 0.0 5.87 854 809 A 86 PHE HA A 13 VAL HG1% 1.0 0.0 5.46 855 810 A 6 ILE HG2% A 84 ALA HA 1.0 0.0 5.94 856 811 A 27 CYS HA A 84 ALA HB% 1.0 0.0 5.82 857 812 A 84 ALA HB% A 83 CYS HB2 1.0 0.0 5.47 858 812 A 84 ALA HB% A 83 CYS HB3 1.0 0.0 5.47 859 813 A 84 ALA HB% A 83 CYS HA 1.0 0.0 5.53 860 814 A 47 GLU H A 45 VAL HG1% 1.0 0.0 6.10 861 815 A 78 VAL H A 78 VAL HG1% 1.0 0.0 5.40 862 816 A 83 CYS HA A 78 VAL HG1% 1.0 0.0 5.71 863 817 A 78 VAL HG1% A 79 ALA HA 1.0 0.0 5.32 864 818 A 78 VAL HG1% A 37 ARG HD2 1.0 0.0 6.30 865 818 A 78 VAL HG1% A 37 ARG HD3 1.0 0.0 6.30 866 819 A 37 ARG H A 78 VAL HB 1.0 0.0 5.11 867 820 A 77 CYS H A 78 VAL HA 1.0 0.0 6.30 868 821 A 78 VAL HG2% A 77 CYS HA 1.0 0.0 5.33 869 822 A 38 TRP H A 77 CYS HA 1.0 0.0 5.49 870 823 A 38 TRP HZ3 A 77 CYS HA 1.0 0.0 6.01 871 824 A 38 TRP HH2 A 77 CYS HBy 1.0 0.0 6.30 872 825 A 38 TRP HH2 A 77 CYS HBx 1.0 0.0 6.30 873 826 A 76 GLN HA A 85 TYR HA 1.0 0.0 4.75 874 827 A 39 TYR HD% A 76 GLN HBy 1.0 0.0 5.72 875 828 A 39 TYR HD% A 76 GLN HBx 1.0 0.0 5.72 876 829 A 88 VAL H A 74 GLU HA 1.0 0.0 5.69 877 830 A 71 ASP HA A 40 LYS HEy 1.0 0.0 4.87 878 831 A 71 ASP H A 70 SER HBy 1.0 0.0 6.09 879 832 A 71 ASP H A 70 SER HBx 1.0 0.0 6.09 880 833 A 19 THR HG2% A 69 PRO HGy 1.0 0.0 5.78 881 834 A 19 THR HG2% A 69 PRO HGx 1.0 0.0 5.78 882 835 A 64 LEU HD1% A 67 THR HA 1.0 0.0 5.47 883 836 A 23 VAL HB A 67 THR HA 1.0 0.0 5.81 884 837 A 67 THR HA A 71 ASP HB2 1.0 0.0 5.49 885 837 A 71 ASP HB3 A 67 THR HA 1.0 0.0 5.49 886 838 A 67 THR HG2% A 64 LEU HD2% 1.0 0.0 5.05 887 839 A 67 THR HG2% A 23 VAL HB 1.0 0.0 4.60 888 840 A 67 THR HG2% A 67 THR HA 1.0 0.0 3.93 889 841 A 67 THR HG2% A 71 ASP HA 1.0 0.0 6.20 890 842 A 67 THR HG2% A 23 VAL H 1.0 0.0 5.48 891 843 A 17 ALA HA A 18 ILE HD1% 1.0 0.0 5.87 892 844 A 17 ALA HA A 67 THR HG2% 1.0 0.0 6.24 893 845 A 64 LEU HD1% A 66 ALA HB% 1.0 0.0 4.58 894 846 A 50 PHE HD% A 66 ALA HB% 1.0 0.0 5.58 895 847 A 66 ALA HB% A 67 THR H 1.0 0.0 5.58 896 848 A 23 VAL H A 65 PRO HA 1.0 0.0 5.74 897 849 A 64 LEU HD1% A 65 PRO HB3 1.0 0.0 5.33 898 850 A 65 PRO HB3 A 66 ALA HB% 1.0 0.0 5.09 899 851 A 64 LEU HD1% A 65 PRO HGy 1.0 0.0 4.58 900 852 A 66 ALA H A 65 PRO HGx 1.0 0.0 5.90 901 853 A 64 LEU H A 65 PRO HDy 1.0 0.0 6.30 902 854 A 64 LEU H A 65 PRO HDx 1.0 0.0 6.30 903 855 A 64 LEU HD2% A 65 PRO HDx 1.0 0.0 5.55 904 856 A 52 VAL HG2% A 64 LEU HA 1.0 0.0 5.87 905 857 A 52 VAL H A 64 LEU HA 1.0 0.0 5.80 906 858 A 67 THR HA A 64 LEU HA 1.0 0.0 6.30 907 859 A 64 LEU HD1% A 62 LEU HD2% 1.0 0.0 4.55 908 860 A 23 VAL HB A 64 LEU HD1% 1.0 0.0 5.11 909 861 A 64 LEU HD1% A 71 ASP HA 1.0 0.0 6.30 910 862 A 64 LEU H A 64 LEU HD2% 1.0 0.0 5.93 911 863 A 75 PHE HE% A 64 LEU HD2% 1.0 0.0 5.34 912 864 A 64 LEU HD2% A 65 PRO HDy 1.0 0.0 5.55 913 865 A 64 LEU HD2% A 71 ASP HB2 1.0 0.0 5.31 914 865 A 71 ASP HB3 A 64 LEU HD2% 1.0 0.0 5.31 915 866 A 63 VAL HG2% A 61 ARG HDx 1.0 0.0 5.58 916 867 A 62 LEU HA A 63 VAL HG2% 1.0 0.0 4.81 917 868 A 51 VAL HG1% A 64 LEU HA 1.0 0.0 5.35 918 869 A 52 VAL H A 63 VAL HB 1.0 0.0 5.53 919 870 A 53 LEU HA A 63 VAL HB 1.0 0.0 5.64 920 871 A 62 LEU HA A 63 VAL HB 1.0 0.0 5.62 921 872 A 52 VAL HG2% A 63 VAL HA 1.0 0.0 5.73 922 873 A 63 VAL HA A 24 MET HB2 1.0 0.0 4.97 923 873 A 24 MET HB3 A 63 VAL HA 1.0 0.0 4.97 924 874 A 52 VAL H A 62 LEU HG 1.0 0.0 5.82 925 875 A 45 VAL HA A 62 LEU HD1% 1.0 0.0 5.96 926 876 A 53 LEU HA A 62 LEU HD1% 1.0 0.0 5.91 927 877 A 62 LEU HD1% A 38 TRP HE3 1.0 0.0 6.03 928 878 A 62 LEU HD1% A 38 TRP HD1 1.0 0.0 5.47 929 879 A 23 VAL HG1% A 62 LEU HD2% 1.0 0.0 4.58 930 880 A 38 TRP HB2 A 62 LEU HD2% 1.0 0.0 6.30 931 881 A 53 LEU HA A 62 LEU HD2% 1.0 0.0 5.72 932 882 A 25 LEU H A 62 LEU HD2% 1.0 0.0 5.61 933 883 A 38 TRP HZ3 A 62 LEU HD2% 1.0 0.0 5.94 934 884 A 26 ALA HB% A 61 ARG HA 1.0 0.0 5.27 935 885 A 58 PRO HA A 32 GLU HB2 1.0 0.0 5.23 936 885 A 32 GLU HB3 A 58 PRO HA 1.0 0.0 5.23 937 886 A 32 GLU HA A 58 PRO HBy 1.0 0.0 5.81 938 887 A 55 ASN HA A 60 ARG HA 1.0 0.0 4.35 939 888 A 53 LEU HA A 62 LEU HG 1.0 0.0 6.02 940 889 A 53 LEU HA A 52 VAL HG2% 1.0 0.0 5.99 941 890 A 53 LEU HA A 52 VAL HB 1.0 0.0 6.30 942 891 A 53 LEU HA A 63 VAL H 1.0 0.0 5.83 943 892 A 53 LEU HB2 A 52 VAL HA 1.0 0.0 5.81 944 893 A 53 LEU HD1% A 53 LEU H 1.0 0.0 5.53 945 894 A 53 LEU HA A 53 LEU HD1% 1.0 0.0 5.71 946 895 A 38 TRP HB3 A 53 LEU HD2% 1.0 0.0 5.53 947 896 A 38 TRP HB2 A 53 LEU HD2% 1.0 0.0 5.63 948 897 A 52 VAL H A 53 LEU HD2% 1.0 0.0 5.49 949 898 A 53 LEU HD2% A 62 LEU HBy 1.0 0.0 4.83 950 899 A 52 VAL HA A 47 GLU HGx 1.0 0.0 5.64 951 900 A 52 VAL HG2% A 65 PRO HDx 1.0 0.0 5.28 952 901 A 52 VAL HG2% A 51 VAL HA 1.0 0.0 5.07 953 902 A 54 GLU H A 52 VAL HG2% 1.0 0.0 5.73 954 903 A 51 VAL HA A 64 LEU HD2% 1.0 0.0 4.61 955 904 A 52 VAL HB A 51 VAL HA 1.0 0.0 6.30 956 905 A 51 VAL HB A 64 LEU HD2% 1.0 0.0 5.25 957 906 A 51 VAL HG2% A 50 PHE HBy 1.0 0.0 5.44 958 907 A 51 VAL HG2% A 50 PHE HA 1.0 0.0 5.58 959 908 A 51 VAL HG2% A 49 ASP HA 1.0 0.0 6.30 960 909 A 50 PHE HD% A 49 ASP HBy 1.0 0.0 5.93 961 910 A 50 PHE H A 48 SER HBy 1.0 0.0 5.80 962 911 A 46 GLU HA A 47 GLU HA 1.0 0.0 5.72 963 912 A 47 GLU HA A 51 VAL HG2% 1.0 0.0 5.95 964 913 A 53 LEU HD1% A 47 GLU HA 1.0 0.0 5.66 965 914 A 47 GLU HA A 51 VAL H 1.0 0.0 5.65 966 915 A 46 GLU HA A 53 LEU HD1% 1.0 0.0 5.57 967 916 A 38 TRP HB2 A 45 VAL HG2% 1.0 0.0 4.61 968 917 A 38 TRP H A 45 VAL HG2% 1.0 0.0 5.94 969 918 A 45 VAL HG2% A 46 GLU H 1.0 0.0 5.46 970 919 A 45 VAL HA A 45 VAL HG1% 1.0 0.0 4.12 971 920 A 38 TRP HB3 A 45 VAL HG1% 1.0 0.0 5.21 972 921 A 53 LEU HD2% A 45 VAL HG1% 1.0 0.0 4.07 973 922 A 44 GLU HA A 45 VAL HG1% 1.0 0.0 6.30 974 923 A 43 GLN HA A 44 GLU HB2 1.0 0.0 4.71 975 923 A 43 GLN HA A 44 GLU HB3 1.0 0.0 4.71 976 924 A 39 TYR HB2 A 76 GLN HBy 1.0 0.0 5.10 977 925 A 78 VAL HG2% A 38 TRP HA 1.0 0.0 5.97 978 926 A 38 TRP HA A 45 VAL HG2% 1.0 0.0 6.23 979 927 A 38 TRP HH2 A 27 CYS HB2 1.0 0.0 5.92 980 927 A 27 CYS HB3 A 38 TRP HH2 1.0 0.0 5.92 981 928 A 38 TRP HB3 A 39 TYR H 1.0 0.0 5.74 982 929 A 78 VAL HB A 37 ARG HBy 1.0 0.0 4.96 983 930 A 39 TYR HE% A 37 ARG HGy 1.0 0.0 5.82 984 931 A 37 ARG H A 37 ARG HGx 1.0 0.0 5.68 985 932 A 39 TYR HE% A 37 ARG HGx 1.0 0.0 5.82 986 933 A 37 ARG HA A 37 ARG HD2 1.0 0.0 5.38 987 933 A 37 ARG HD3 A 37 ARG HA 1.0 0.0 5.38 988 934 A 36 VAL HA A 79 ALA HA 1.0 0.0 4.65 989 935 A 36 VAL HG2% A 79 ALA HA 1.0 0.0 5.76 990 936 A 35 PRO HA A 36 VAL HG2% 1.0 0.0 5.58 991 937 A 34 ALA HB% A 31 ARG HBy 1.0 0.0 4.71 992 938 A 29 VAL HB A 34 ALA HB% 1.0 0.0 5.37 993 939 A 32 GLU HA A 58 PRO HBx 1.0 0.0 5.81 994 940 A 4 VAL HG1% A 31 ARG HG2 1.0 0.0 5.45 995 940 A 4 VAL HG1% A 31 ARG HG3 1.0 0.0 5.45 996 941 A 29 VAL HG2% A 60 ARG HGx 1.0 0.0 5.43 997 942 A 29 VAL HG2% A 60 ARG HGy 1.0 0.0 5.43 998 943 A 29 VAL HG2% A 28 GLU HGx 1.0 0.0 5.94 999 944 A 31 ARG HA A 29 VAL HG2% 1.0 0.0 5.78 1000 945 A 29 VAL HG2% A 30 ASP H 1.0 0.0 5.25 1001 946 A 29 VAL HG1% A 79 ALA HB% 1.0 0.0 3.66 1002 947 A 28 GLU HA A 29 VAL HG1% 1.0 0.0 5.89 1003 948 A 8 ASP HB3 A 28 GLU HBy 1.0 0.0 5.50 1004 949 A 6 ILE HG2% A 27 CYS HA 1.0 0.0 5.73 1005 950 A 26 ALA HB% A 27 CYS HA 1.0 0.0 5.94 1006 951 A 26 ALA HB% A 27 CYS HB2 1.0 0.0 5.68 1007 951 A 26 ALA HB% A 27 CYS HB3 1.0 0.0 5.68 1008 952 A 26 ALA HA A 61 ARG HGy 1.0 0.0 5.60 1009 953 A 25 LEU HB3 A 62 LEU H 1.0 0.0 5.86 1010 954 A 25 LEU HG A 62 LEU HD2% 1.0 0.0 5.07 1011 955 A 24 MET HA A 25 LEU HG 1.0 0.0 5.64 1012 956 A 75 PHE HE% A 25 LEU HD1% 1.0 0.0 5.30 1013 957 A 25 LEU HD2% A 38 TRP HH2 1.0 0.0 5.74 1014 958 A 24 MET H A 24 MET HGx 1.0 0.0 5.92 1015 959 A 24 MET HE% A 61 ARG HDx 1.0 0.0 5.25 1016 960 A 17 ALA HA A 23 VAL HG2% 1.0 0.0 5.33 1017 961 A 23 VAL HB A 24 MET HA 1.0 0.0 6.30 1018 962 A 19 THR HB A 20 SER HA 1.0 0.0 5.17 1019 963 A 19 THR HB A 90 ILE HG2% 1.0 0.0 5.72 1020 964 A 19 THR HG2% A 90 ILE HG2% 1.0 0.0 5.17 1021 965 A 18 ILE HG2% A 19 THR HG2% 1.0 0.0 4.76 1022 966 A 19 THR HG2% A 69 PRO HA 1.0 0.0 5.18 1023 967 A 18 ILE HG2% A 18 ILE HG1y 1.0 0.0 4.29 1024 968 A 51 VAL HB A 53 LEU HG 1.0 0.0 6.30 1025 969 A 18 ILE HG2% A 19 THR HA 1.0 0.0 5.80 1026 970 A 18 ILE HD1% A 19 THR H 1.0 0.0 5.68 1027 971 A 18 ILE HD1% A 18 ILE HA 1.0 0.0 4.45 1028 972 A 17 ALA HB% A 18 ILE HB 1.0 0.0 6.30 1029 973 A 17 ALA HB% A 23 VAL HB 1.0 0.0 6.30 1030 974 A 15 VAL HB A 17 ALA HB% 1.0 0.0 6.27 1031 975 A 90 ILE HA A 17 ALA HB% 1.0 0.0 5.72 1032 976 A 17 ALA HB% A 67 THR HB 1.0 0.0 5.68 1033 977 A 16 HIS HA A 16 HIS HD2 1.0 0.0 5.84 1034 978 A 15 VAL HB A 89 THR H 1.0 0.0 5.78 1035 979 A 36 VAL HA A 79 ALA HB% 1.0 0.0 5.04 1036 980 A 15 VAL H A 15 VAL HG1% 1.0 0.0 5.21 1037 981 A 15 VAL HG1% A 25 LEU HD1% 1.0 0.0 5.57 1038 982 A 15 VAL HG2% A 25 LEU HD1% 1.0 0.0 5.19 1039 983 A 15 VAL HB A 25 LEU HD2% 1.0 0.0 5.64 1040 984 A 13 VAL HG1% A 15 VAL HB 1.0 0.0 5.92 1041 985 A 13 VAL HB A 14 PHE HA 1.0 0.0 6.05 1042 986 A 14 PHE HA A 15 VAL HB 1.0 0.0 6.30 1043 987 A 13 VAL HG1% A 15 VAL H 1.0 0.0 5.57 1044 988 A 13 VAL HG1% A 14 PHE HA 1.0 0.0 6.02 1045 989 A 13 VAL HA A 14 PHE HB2 1.0 0.0 6.30 1046 989 A 13 VAL HA A 14 PHE HB3 1.0 0.0 6.30 1047 990 A 13 VAL HG2% A 11 GLU HG2 1.0 0.0 5.24 1048 990 A 11 GLU HG3 A 13 VAL HG2% 1.0 0.0 5.24 1049 991 A 4 VAL HG1% A 3 PRO HA 1.0 0.0 5.29 1050 992 A 2 MET HA A 3 PRO HG2 1.0 0.0 5.47 1051 992 A 2 MET HA A 3 PRO HG3 1.0 0.0 5.47 1052 993 A 4 VAL HG1% A 29 VAL HB 1.0 0.0 5.66 1053 994 A 4 VAL HG2% A 29 VAL HA 1.0 0.0 5.74 1054 995 A 4 VAL HB A 5 HIS H 1.0 0.0 5.25 1055 996 A 6 ILE HA A 7 VAL HG1% 1.0 0.0 5.25 1056 997 A 6 ILE HG2% A 84 ALA H 1.0 0.0 6.16 1057 998 A 6 ILE HG2% A 8 ASP HA 1.0 0.0 5.51 1058 999 A 90 ILE HG2% A 68 GLN HA 1.0 0.0 5.48 1059 1000 A 6 ILE HG2% A 29 VAL HA 1.0 0.0 5.80 1060 1001 A 7 VAL HG1% A 8 ASP HB2 1.0 0.0 6.04 1061 1002 A 8 ASP HB3 A 9 PRO HA 1.0 0.0 5.99 1062 1003 A 9 PRO HA A 13 VAL HG2% 1.0 0.0 5.67 1063 1004 A 13 VAL HG1% A 9 PRO HBy 1.0 0.0 6.01 1064 1005 A 9 PRO HD2 A 27 CYS HB2 1.0 0.0 4.95 1065 1005 A 27 CYS HB3 A 9 PRO HD2 1.0 0.0 4.95 1066 1006 A 10 ARG HA A 10 ARG HGx 1.0 0.0 4.21 1067 1007 A 10 ARG HA A 10 ARG HGy 1.0 0.0 4.21 1068 1008 A 86 PHE HE% A 9 PRO HD2 1.0 0.0 6.30 1069 1009 A 66 ALA HA A 20 SER HA 1.0 0.0 5.06 1070 1010 A 14 PHE H A 14 PHE HD% 1.0 0.0 4.56 1071 1011 A 14 PHE HA A 14 PHE HD% 1.0 0.0 4.75 1072 1012 A 87 THR HB A 14 PHE HD% 1.0 0.0 4.25 1073 1013 A 87 THR HG2% A 14 PHE HD% 1.0 0.0 4.40 1074 1014 A 89 THR HG2% A 16 HIS HD2 1.0 0.0 5.27 1075 1015 A 27 CYS H A 38 TRP HZ2 1.0 0.0 5.09 1076 1016 A 61 ARG HA A 38 TRP HZ2 1.0 0.0 4.43 1077 1017 A 38 TRP HZ2 A 27 CYS HB2 1.0 0.0 4.96 1078 1017 A 27 CYS HB3 A 38 TRP HZ2 1.0 0.0 4.96 1079 1018 A 38 TRP HZ2 A 60 ARG HBy 1.0 0.0 5.09 1080 1019 A 38 TRP HZ2 A 60 ARG HBx 1.0 0.0 5.09 1081 1020 A 38 TRP H A 38 TRP HD1 1.0 0.0 4.40 1082 1021 A 38 TRP HD1 A 37 ARG HA 1.0 0.0 5.09 1083 1022 A 53 LEU HD1% A 38 TRP HD1 1.0 0.0 4.67 1084 1023 A 53 LEU HD2% A 38 TRP HD1 1.0 0.0 4.08 1085 1024 A 38 TRP HZ3 A 62 LEU HD1% 1.0 0.0 5.05 1086 1025 A 38 TRP HZ3 A 25 LEU HD1% 1.0 0.0 5.06 1087 1026 A 38 TRP HH2 A 25 LEU HD1% 1.0 0.0 4.33 1088 1027 A 44 GLU HA A 39 TYR HE% 1.0 0.0 5.27 1089 1028 A 39 TYR HE% A 37 ARG HD2 1.0 0.0 5.29 1090 1028 A 39 TYR HE% A 37 ARG HD3 1.0 0.0 5.29 1091 1029 A 39 TYR HE% A 78 VAL HB 1.0 0.0 3.85 1092 1030 A 39 TYR HE% A 44 GLU HB2 1.0 0.0 4.05 1093 1030 A 44 GLU HB3 A 39 TYR HE% 1.0 0.0 4.05 1094 1031 A 78 VAL HG2% A 39 TYR HE% 1.0 0.0 3.60 1095 1032 A 39 TYR H A 39 TYR HD% 1.0 0.0 4.21 1096 1033 A 39 TYR HD% A 44 GLU H 1.0 0.0 4.74 1097 1034 A 39 TYR HA A 39 TYR HD% 1.0 0.0 4.82 1098 1035 A 39 TYR HD% A 43 GLN HA 1.0 0.0 4.95 1099 1036 A 44 GLU HA A 39 TYR HD% 1.0 0.0 4.53 1100 1037 A 39 TYR HD% A 78 VAL HB 1.0 0.0 4.97 1101 1038 A 39 TYR HD% A 44 GLU HB2 1.0 0.0 4.28 1102 1038 A 39 TYR HD% A 44 GLU HB3 1.0 0.0 4.28 1103 1039 A 39 TYR HD% A 37 ARG HBy 1.0 0.0 5.44 1104 1040 A 39 TYR HD% A 37 ARG HBx 1.0 0.0 5.44 1105 1041 A 78 VAL HG2% A 39 TYR HD% 1.0 0.0 3.79 1106 1042 A 50 PHE HD% A 50 PHE HA 1.0 0.0 4.79 1107 1043 A 50 PHE HD% A 49 ASP HBx 1.0 0.0 5.93 1108 1044 A 13 VAL HG1% A 86 PHE HE% 1.0 0.0 4.66 1109 1045 A 59 HIS H A 59 HIS HD2 1.0 0.0 4.77 1110 1046 A 75 PHE HD% A 76 GLN H 1.0 0.0 5.05 1111 1047 A 75 PHE HA A 75 PHE HD% 1.0 0.0 4.92 1112 1048 A 88 VAL HB A 75 PHE HD% 1.0 0.0 4.75 1113 1049 A 75 PHE HD% A 88 VAL HG2% 1.0 0.0 3.98 1114 1050 A 23 VAL HG1% A 75 PHE HD% 1.0 0.0 6.30 1115 1051 A 75 PHE HD% A 62 LEU HD1% 1.0 0.0 4.35 1116 1052 A 75 PHE HD% A 62 LEU HD2% 1.0 0.0 5.22 1117 1053 A 75 PHE HD% A 25 LEU HD1% 1.0 0.0 4.45 1118 1054 A 85 TYR HE% A 83 CYS HB2 1.0 0.0 4.13 1119 1054 A 83 CYS HB3 A 85 TYR HE% 1.0 0.0 4.13 1120 1055 A 85 TYR H A 85 TYR HD% 1.0 0.0 4.24 1121 1056 A 85 TYR HA A 85 TYR HD% 1.0 0.0 4.54 1122 1057 A 84 ALA HA A 85 TYR HD% 1.0 0.0 4.78 1123 1058 A 85 TYR HD% A 83 CYS HB2 1.0 0.0 5.21 1124 1058 A 83 CYS HB3 A 85 TYR HD% 1.0 0.0 5.21 1125 1059 A 86 PHE HE% A 38 TRP HH2 1.0 0.0 4.79 1126 1060 A 15 VAL HG2% A 86 PHE HE% 1.0 0.0 4.90 1127 1061 A 38 TRP HH2 A 86 PHE HD% 1.0 0.0 5.50 1128 1062 A 86 PHE HA A 86 PHE HD% 1.0 0.0 4.50 1129 1063 A 13 VAL HB A 86 PHE HD% 1.0 0.0 3.94 1130 1064 A 84 ALA HB% A 86 PHE HD% 1.0 0.0 4.50 1131 1065 A 15 VAL HG2% A 86 PHE HD% 1.0 0.0 4.20 1132 1066 A 25 LEU HD2% A 86 PHE HD% 1.0 0.0 4.19 1133 1067 A 86 PHE HD% A 25 LEU HD1% 1.0 0.0 4.55 1134 1068 A 2 MET HBy A 3 PRO HDx 1.0 0.0 5.90 1135 1068 A 2 MET HBx A 3 PRO HDx 1.0 0.0 5.90 1136 1068 A 3 PRO HDy A 2 MET HBy 1.0 0.0 5.90 1137 1068 A 2 MET HBx A 3 PRO HDy 1.0 0.0 5.90 1138 1069 A 4 VAL HA A 31 ARG HBy 1.0 0.0 5.26 1139 1069 A 4 VAL HA A 31 ARG HBx 1.0 0.0 5.26 1140 1070 A 4 VAL HB A 80 GLY HAx 1.0 0.0 5.66 1141 1070 A 4 VAL HB A 80 GLY HAy 1.0 0.0 5.66 1142 1071 A 4 VAL HG1% A 80 GLY HAx 1.0 0.0 4.25 1143 1071 A 4 VAL HG1% A 80 GLY HAy 1.0 0.0 4.25 1144 1072 A 4 VAL HG2% A 31 ARG HBy 1.0 0.0 4.69 1145 1072 A 4 VAL HG2% A 31 ARG HBx 1.0 0.0 4.69 1146 1073 A 4 VAL HG2% A 80 GLY HAx 1.0 0.0 5.42 1147 1073 A 4 VAL HG2% A 80 GLY HAy 1.0 0.0 5.42 1148 1074 A 6 ILE H A 5 HIS HBy 1.0 0.0 4.50 1149 1074 A 6 ILE H A 5 HIS HBx 1.0 0.0 4.50 1150 1075 A 7 VAL HG1% A 5 HIS HBy 1.0 0.0 4.96 1151 1075 A 7 VAL HG1% A 5 HIS HBx 1.0 0.0 4.96 1152 1076 A 7 VAL HG2% A 5 HIS HBy 1.0 0.0 6.10 1153 1076 A 7 VAL HG2% A 5 HIS HBx 1.0 0.0 6.10 1154 1077 A 5 HIS HBy A 30 ASP HBx 1.0 0.0 4.73 1155 1077 A 5 HIS HBx A 30 ASP HBx 1.0 0.0 4.73 1156 1077 A 30 ASP HBy A 5 HIS HBy 1.0 0.0 4.73 1157 1077 A 5 HIS HBx A 30 ASP HBy 1.0 0.0 4.73 1158 1078 A 6 ILE H A 6 ILE HG1x 1.0 0.0 4.16 1159 1078 A 6 ILE H A 6 ILE HG1y 1.0 0.0 4.16 1160 1079 A 6 ILE H A 82 GLU HGy 1.0 0.0 5.44 1161 1079 A 6 ILE H A 82 GLU HGx 1.0 0.0 5.44 1162 1080 A 6 ILE HA A 6 ILE HG1x 1.0 0.0 3.86 1163 1080 A 6 ILE HA A 6 ILE HG1y 1.0 0.0 3.86 1164 1081 A 29 VAL HG1% A 6 ILE HG1x 1.0 0.0 4.79 1165 1081 A 29 VAL HG1% A 6 ILE HG1y 1.0 0.0 4.79 1166 1082 A 79 ALA HB% A 6 ILE HG1x 1.0 0.0 4.50 1167 1082 A 79 ALA HB% A 6 ILE HG1y 1.0 0.0 4.50 1168 1083 A 6 ILE HG1x A 82 GLU HBx 1.0 0.0 4.21 1169 1083 A 6 ILE HG1y A 82 GLU HBx 1.0 0.0 4.21 1170 1083 A 82 GLU HBy A 6 ILE HG1x 1.0 0.0 4.21 1171 1083 A 6 ILE HG1y A 82 GLU HBy 1.0 0.0 4.21 1172 1084 A 6 ILE HG1y A 82 GLU HGy 1.0 0.0 5.89 1173 1084 A 6 ILE HG1x A 82 GLU HGy 1.0 0.0 5.89 1174 1084 A 82 GLU HGx A 6 ILE HG1x 1.0 0.0 5.89 1175 1084 A 6 ILE HG1y A 82 GLU HGx 1.0 0.0 5.89 1176 1085 A 6 ILE HD1% A 82 GLU HGy 1.0 0.0 6.10 1177 1085 A 6 ILE HD1% A 82 GLU HGx 1.0 0.0 6.10 1178 1086 A 7 VAL HG1% A 30 ASP HBx 1.0 0.0 4.38 1179 1086 A 7 VAL HG1% A 30 ASP HBy 1.0 0.0 4.38 1180 1087 A 7 VAL HG2% A 28 GLU HBx 1.0 0.0 4.12 1181 1087 A 7 VAL HG2% A 28 GLU HBy 1.0 0.0 4.12 1182 1088 A 7 VAL HG2% A 28 GLU HGx 1.0 0.0 5.29 1183 1088 A 7 VAL HG2% A 28 GLU HGy 1.0 0.0 5.29 1184 1089 A 7 VAL HG2% A 30 ASP HBx 1.0 0.0 4.02 1185 1089 A 7 VAL HG2% A 30 ASP HBy 1.0 0.0 4.02 1186 1090 A 8 ASP H A 28 GLU HBx 1.0 0.0 4.82 1187 1090 A 8 ASP H A 28 GLU HBy 1.0 0.0 4.82 1188 1091 A 8 ASP HA A 10 ARG HGx 1.0 0.0 5.74 1189 1091 A 8 ASP HA A 10 ARG HGy 1.0 0.0 5.74 1190 1092 A 8 ASP HB2 A 28 GLU HBx 1.0 0.0 5.42 1191 1092 A 8 ASP HB2 A 28 GLU HBy 1.0 0.0 5.42 1192 1093 A 8 ASP HB3 A 28 GLU HBx 1.0 0.0 4.75 1193 1093 A 8 ASP HB3 A 28 GLU HBy 1.0 0.0 4.75 1194 1094 A 10 ARG H A 9 PRO HBx 1.0 0.0 4.12 1195 1094 A 10 ARG H A 9 PRO HBy 1.0 0.0 4.12 1196 1095 A 11 GLU H A 9 PRO HBx 1.0 0.0 3.90 1197 1095 A 11 GLU H A 9 PRO HBy 1.0 0.0 3.90 1198 1096 A 13 VAL HG2% A 9 PRO HBx 1.0 0.0 3.70 1199 1096 A 13 VAL HG2% A 9 PRO HBy 1.0 0.0 3.70 1200 1097 A 84 ALA HB% A 9 PRO HBx 1.0 0.0 6.10 1201 1097 A 84 ALA HB% A 9 PRO HBy 1.0 0.0 6.10 1202 1098 A 13 VAL HG2% A 9 PRO HGx 1.0 0.0 3.71 1203 1098 A 13 VAL HG2% A 9 PRO HGy 1.0 0.0 3.71 1204 1099 A 27 CYS HA A 9 PRO HGx 1.0 0.0 6.10 1205 1099 A 27 CYS HA A 9 PRO HGy 1.0 0.0 6.10 1206 1100 A 84 ALA HB% A 9 PRO HGx 1.0 0.0 3.90 1207 1100 A 84 ALA HB% A 9 PRO HGy 1.0 0.0 3.90 1208 1101 A 85 TYR H A 9 PRO HGx 1.0 0.0 5.30 1209 1101 A 85 TYR H A 9 PRO HGy 1.0 0.0 5.30 1210 1102 A 86 PHE HE% A 9 PRO HGx 1.0 0.0 5.43 1211 1102 A 86 PHE HE% A 9 PRO HGy 1.0 0.0 5.43 1212 1103 A 10 ARG H A 10 ARG HGx 1.0 0.0 3.93 1213 1103 A 10 ARG H A 10 ARG HGy 1.0 0.0 3.93 1214 1104 A 10 ARG HA A 10 ARG HDx 1.0 0.0 4.12 1215 1104 A 10 ARG HA A 10 ARG HDy 1.0 0.0 4.12 1216 1105 A 11 GLU H A 10 ARG HBy 1.0 0.0 4.53 1217 1105 A 11 GLU H A 10 ARG HBx 1.0 0.0 4.53 1218 1106 A 12 HIS H A 11 GLU HBx 1.0 0.0 3.95 1219 1106 A 12 HIS H A 11 GLU HBy 1.0 0.0 3.95 1220 1107 A 12 HIS H A 12 HIS HBx 1.0 0.0 3.83 1221 1107 A 12 HIS H A 12 HIS HBy 1.0 0.0 3.83 1222 1108 A 12 HIS HA A 85 TYR HBx 1.0 0.0 4.28 1223 1108 A 12 HIS HA A 85 TYR HBy 1.0 0.0 4.28 1224 1109 A 13 VAL HA A 12 HIS HBx 1.0 0.0 6.10 1225 1109 A 13 VAL HA A 12 HIS HBy 1.0 0.0 6.10 1226 1110 A 13 VAL HB A 86 PHE HBy 1.0 0.0 6.05 1227 1110 A 13 VAL HB A 86 PHE HBx 1.0 0.0 6.05 1228 1111 A 15 VAL HB A 86 PHE HBy 1.0 0.0 6.10 1229 1111 A 15 VAL HB A 86 PHE HBx 1.0 0.0 6.10 1230 1112 A 15 VAL HG1% A 86 PHE HBy 1.0 0.0 6.00 1231 1112 A 15 VAL HG1% A 86 PHE HBx 1.0 0.0 6.00 1232 1113 A 15 VAL HG2% A 86 PHE HBy 1.0 0.0 5.02 1233 1113 A 15 VAL HG2% A 86 PHE HBx 1.0 0.0 5.02 1234 1114 A 89 THR HB A 16 HIS HBx 1.0 0.0 5.59 1235 1114 A 89 THR HB A 16 HIS HBy 1.0 0.0 5.59 1236 1115 A 17 ALA H A 90 ILE HG1x 1.0 0.0 5.54 1237 1115 A 17 ALA H A 90 ILE HG1y 1.0 0.0 5.54 1238 1116 A 17 ALA HA A 18 ILE HG1x 1.0 0.0 5.49 1239 1116 A 17 ALA HA A 18 ILE HG1y 1.0 0.0 5.49 1240 1117 A 17 ALA HB% A 21 GLU HBy 1.0 0.0 5.18 1241 1117 A 17 ALA HB% A 21 GLU HBx 1.0 0.0 5.18 1242 1118 A 17 ALA HB% A 90 ILE HG1x 1.0 0.0 4.42 1243 1118 A 17 ALA HB% A 90 ILE HG1y 1.0 0.0 4.42 1244 1119 A 18 ILE H A 18 ILE HG1x 1.0 0.0 4.17 1245 1119 A 18 ILE H A 18 ILE HG1y 1.0 0.0 4.17 1246 1120 A 18 ILE H A 21 GLU HBy 1.0 0.0 5.02 1247 1120 A 18 ILE H A 21 GLU HBx 1.0 0.0 5.02 1248 1121 A 18 ILE HB A 21 GLU HBy 1.0 0.0 4.70 1249 1121 A 18 ILE HB A 21 GLU HBx 1.0 0.0 4.70 1250 1122 A 18 ILE HG2% A 21 GLU HBy 1.0 0.0 5.19 1251 1122 A 18 ILE HG2% A 21 GLU HBx 1.0 0.0 5.19 1252 1123 A 18 ILE HG2% A 21 GLU HGy 1.0 0.0 4.47 1253 1123 A 18 ILE HG2% A 21 GLU HGx 1.0 0.0 4.47 1254 1124 A 19 THR H A 18 ILE HG1x 1.0 0.0 5.28 1255 1124 A 19 THR H A 18 ILE HG1y 1.0 0.0 5.28 1256 1125 A 18 ILE HG1x A 21 GLU HBy 1.0 0.0 5.11 1257 1125 A 18 ILE HG1y A 21 GLU HBy 1.0 0.0 5.11 1258 1125 A 21 GLU HBx A 18 ILE HG1x 1.0 0.0 5.11 1259 1125 A 18 ILE HG1y A 21 GLU HBx 1.0 0.0 5.11 1260 1126 A 18 ILE HG1y A 21 GLU HGy 1.0 0.0 4.91 1261 1126 A 18 ILE HG1x A 21 GLU HGy 1.0 0.0 4.91 1262 1126 A 21 GLU HGx A 18 ILE HG1x 1.0 0.0 4.91 1263 1126 A 18 ILE HG1y A 21 GLU HGx 1.0 0.0 4.91 1264 1127 A 18 ILE HD1% A 21 GLU HBy 1.0 0.0 6.09 1265 1127 A 18 ILE HD1% A 21 GLU HBx 1.0 0.0 6.09 1266 1128 A 18 ILE HD1% A 21 GLU HGy 1.0 0.0 4.94 1267 1128 A 18 ILE HD1% A 21 GLU HGx 1.0 0.0 4.94 1268 1129 A 19 THR HA A 69 PRO HGx 1.0 0.0 6.10 1269 1129 A 19 THR HA A 69 PRO HGy 1.0 0.0 6.10 1270 1130 A 19 THR HG2% A 69 PRO HGx 1.0 0.0 4.87 1271 1130 A 19 THR HG2% A 69 PRO HGy 1.0 0.0 4.87 1272 1131 A 21 GLU H A 21 GLU HBy 1.0 0.0 3.60 1273 1131 A 21 GLU H A 21 GLU HBx 1.0 0.0 3.60 1274 1132 A 21 GLU H A 21 GLU HGy 1.0 0.0 4.84 1275 1132 A 21 GLU H A 21 GLU HGx 1.0 0.0 4.84 1276 1133 A 21 GLU HA A 21 GLU HGy 1.0 0.0 3.92 1277 1133 A 21 GLU HA A 21 GLU HGx 1.0 0.0 3.92 1278 1134 A 22 CYS H A 21 GLU HBy 1.0 0.0 4.17 1279 1134 A 22 CYS H A 21 GLU HBx 1.0 0.0 4.17 1280 1135 A 23 VAL HG2% A 21 GLU HBy 1.0 0.0 5.26 1281 1135 A 23 VAL HG2% A 21 GLU HBx 1.0 0.0 5.26 1282 1136 A 22 CYS H A 21 GLU HGy 1.0 0.0 5.25 1283 1136 A 22 CYS H A 21 GLU HGx 1.0 0.0 5.25 1284 1137 A 22 CYS H A 22 CYS HBy 1.0 0.0 3.70 1285 1137 A 22 CYS H A 22 CYS HBx 1.0 0.0 3.70 1286 1138 A 23 VAL H A 22 CYS HBy 1.0 0.0 4.27 1287 1138 A 23 VAL H A 22 CYS HBx 1.0 0.0 4.27 1288 1139 A 23 VAL HA A 22 CYS HBy 1.0 0.0 5.63 1289 1139 A 23 VAL HA A 22 CYS HBx 1.0 0.0 5.63 1290 1140 A 65 PRO HA A 22 CYS HBy 1.0 0.0 4.91 1291 1140 A 65 PRO HA A 22 CYS HBx 1.0 0.0 4.91 1292 1141 A 23 VAL H A 64 LEU HBx 1.0 0.0 4.54 1293 1141 A 23 VAL H A 64 LEU HBy 1.0 0.0 4.54 1294 1142 A 23 VAL H A 65 PRO HDx 1.0 0.0 5.88 1295 1142 A 23 VAL H A 65 PRO HDy 1.0 0.0 5.88 1296 1143 A 24 MET H A 24 MET HGx 1.0 0.0 5.03 1297 1143 A 24 MET H A 24 MET HGy 1.0 0.0 5.03 1298 1144 A 24 MET HE% A 24 MET HGx 1.0 0.0 3.49 1299 1144 A 24 MET HE% A 24 MET HGy 1.0 0.0 3.49 1300 1145 A 25 LEU H A 24 MET HGx 1.0 0.0 4.71 1301 1145 A 25 LEU H A 24 MET HGy 1.0 0.0 4.71 1302 1146 A 24 MET HGy A 61 ARG HBx 1.0 0.0 5.89 1303 1146 A 24 MET HGx A 61 ARG HBx 1.0 0.0 5.89 1304 1146 A 61 ARG HBy A 24 MET HGx 1.0 0.0 5.89 1305 1146 A 24 MET HGy A 61 ARG HBy 1.0 0.0 5.89 1306 1147 A 24 MET HGx A 61 ARG HGx 1.0 0.0 5.90 1307 1147 A 61 ARG HGy A 24 MET HGx 1.0 0.0 5.90 1308 1147 A 24 MET HGy A 61 ARG HGy 1.0 0.0 5.90 1309 1147 A 24 MET HGy A 61 ARG HGx 1.0 0.0 5.90 1310 1148 A 24 MET HGx A 61 ARG HDy 1.0 0.0 4.85 1311 1148 A 24 MET HGy A 61 ARG HDy 1.0 0.0 4.85 1312 1148 A 61 ARG HDx A 24 MET HGx 1.0 0.0 4.85 1313 1148 A 24 MET HGy A 61 ARG HDx 1.0 0.0 4.85 1314 1149 A 24 MET HE% A 61 ARG HDy 1.0 0.0 4.39 1315 1149 A 24 MET HE% A 61 ARG HDx 1.0 0.0 4.39 1316 1150 A 25 LEU H A 61 ARG HBx 1.0 0.0 5.84 1317 1150 A 25 LEU H A 61 ARG HBy 1.0 0.0 5.84 1318 1151 A 25 LEU H A 62 LEU HBx 1.0 0.0 5.68 1319 1151 A 25 LEU H A 62 LEU HBy 1.0 0.0 5.68 1320 1152 A 25 LEU HB2 A 62 LEU HBx 1.0 0.0 4.45 1321 1152 A 25 LEU HB2 A 62 LEU HBy 1.0 0.0 4.45 1322 1153 A 25 LEU HG A 62 LEU HBx 1.0 0.0 5.43 1323 1153 A 25 LEU HG A 62 LEU HBy 1.0 0.0 5.43 1324 1154 A 25 LEU HD1% A 86 PHE HBy 1.0 0.0 4.30 1325 1154 A 25 LEU HD1% A 86 PHE HBx 1.0 0.0 4.30 1326 1155 A 25 LEU HD2% A 86 PHE HBy 1.0 0.0 4.30 1327 1155 A 25 LEU HD2% A 86 PHE HBx 1.0 0.0 4.30 1328 1156 A 26 ALA HA A 61 ARG HBx 1.0 0.0 5.47 1329 1156 A 26 ALA HA A 61 ARG HBy 1.0 0.0 5.47 1330 1157 A 26 ALA HA A 61 ARG HGx 1.0 0.0 4.71 1331 1157 A 26 ALA HA A 61 ARG HGy 1.0 0.0 4.71 1332 1158 A 26 ALA HB% A 61 ARG HDy 1.0 0.0 5.12 1333 1158 A 26 ALA HB% A 61 ARG HDx 1.0 0.0 5.12 1334 1159 A 27 CYS H A 60 ARG HBx 1.0 0.0 5.28 1335 1159 A 27 CYS H A 60 ARG HBy 1.0 0.0 5.28 1336 1160 A 27 CYS H A 61 ARG HGx 1.0 0.0 5.38 1337 1160 A 27 CYS H A 61 ARG HGy 1.0 0.0 5.38 1338 1161 A 27 CYS HA A 28 GLU HBx 1.0 0.0 6.10 1339 1161 A 27 CYS HA A 28 GLU HBy 1.0 0.0 6.10 1340 1162 A 27 CYS HB3 A 60 ARG HBx 1.0 0.0 4.49 1341 1162 A 27 CYS HB2 A 60 ARG HBx 1.0 0.0 4.49 1342 1162 A 60 ARG HBy A 27 CYS HB2 1.0 0.0 4.49 1343 1162 A 27 CYS HB3 A 60 ARG HBy 1.0 0.0 4.49 1344 1163 A 27 CYS HB2 A 77 CYS HBy 1.0 0.0 6.04 1345 1163 A 27 CYS HB3 A 77 CYS HBy 1.0 0.0 6.04 1346 1163 A 77 CYS HBx A 27 CYS HB2 1.0 0.0 6.04 1347 1163 A 27 CYS HB3 A 77 CYS HBx 1.0 0.0 6.04 1348 1164 A 28 GLU H A 28 GLU HBx 1.0 0.0 3.85 1349 1164 A 28 GLU H A 28 GLU HBy 1.0 0.0 3.85 1350 1165 A 60 ARG H A 28 GLU HBx 1.0 0.0 6.10 1351 1165 A 60 ARG H A 28 GLU HBy 1.0 0.0 6.10 1352 1166 A 29 VAL H A 28 GLU HGx 1.0 0.0 4.19 1353 1166 A 29 VAL H A 28 GLU HGy 1.0 0.0 4.19 1354 1167 A 28 GLU HGx A 58 PRO HBx 1.0 0.0 4.45 1355 1167 A 28 GLU HGy A 58 PRO HBx 1.0 0.0 4.45 1356 1167 A 58 PRO HBy A 28 GLU HGx 1.0 0.0 4.45 1357 1167 A 28 GLU HGy A 58 PRO HBy 1.0 0.0 4.45 1358 1168 A 59 HIS H A 28 GLU HGx 1.0 0.0 5.29 1359 1168 A 59 HIS H A 28 GLU HGy 1.0 0.0 5.29 1360 1169 A 59 HIS HA A 28 GLU HGx 1.0 0.0 5.10 1361 1169 A 59 HIS HA A 28 GLU HGy 1.0 0.0 5.10 1362 1170 A 59 HIS HB2 A 28 GLU HGx 1.0 0.0 5.64 1363 1170 A 59 HIS HB2 A 28 GLU HGy 1.0 0.0 5.64 1364 1171 A 59 HIS HB3 A 28 GLU HGx 1.0 0.0 5.60 1365 1171 A 59 HIS HB3 A 28 GLU HGy 1.0 0.0 5.60 1366 1172 A 59 HIS HD2 A 28 GLU HGx 1.0 0.0 4.81 1367 1172 A 59 HIS HD2 A 28 GLU HGy 1.0 0.0 4.81 1368 1173 A 60 ARG H A 28 GLU HGx 1.0 0.0 6.10 1369 1173 A 60 ARG H A 28 GLU HGy 1.0 0.0 6.10 1370 1174 A 29 VAL H A 58 PRO HBx 1.0 0.0 4.80 1371 1174 A 29 VAL H A 58 PRO HBy 1.0 0.0 4.80 1372 1175 A 29 VAL HG1% A 60 ARG HGx 1.0 0.0 4.80 1373 1175 A 29 VAL HG1% A 60 ARG HGy 1.0 0.0 4.80 1374 1176 A 29 VAL HG2% A 31 ARG HDx 1.0 0.0 5.92 1375 1176 A 29 VAL HG2% A 31 ARG HDy 1.0 0.0 5.92 1376 1177 A 29 VAL HG2% A 58 PRO HBx 1.0 0.0 4.84 1377 1177 A 29 VAL HG2% A 58 PRO HBy 1.0 0.0 4.84 1378 1178 A 29 VAL HG2% A 60 ARG HGx 1.0 0.0 4.77 1379 1178 A 29 VAL HG2% A 60 ARG HGy 1.0 0.0 4.77 1380 1179 A 30 ASP H A 31 ARG HBy 1.0 0.0 5.16 1381 1179 A 30 ASP H A 31 ARG HBx 1.0 0.0 5.16 1382 1180 A 31 ARG H A 31 ARG HBy 1.0 0.0 3.73 1383 1180 A 31 ARG H A 31 ARG HBx 1.0 0.0 3.73 1384 1181 A 31 ARG HA A 31 ARG HDx 1.0 0.0 5.68 1385 1181 A 31 ARG HA A 31 ARG HDy 1.0 0.0 5.68 1386 1182 A 31 ARG HE A 31 ARG HBy 1.0 0.0 4.86 1387 1182 A 31 ARG HE A 31 ARG HBx 1.0 0.0 4.86 1388 1183 A 33 ASP H A 31 ARG HBy 1.0 0.0 5.73 1389 1183 A 33 ASP H A 31 ARG HBx 1.0 0.0 5.73 1390 1184 A 34 ALA HB% A 31 ARG HBy 1.0 0.0 3.95 1391 1184 A 34 ALA HB% A 31 ARG HBx 1.0 0.0 3.95 1392 1185 A 34 ALA HB% A 31 ARG HDx 1.0 0.0 5.29 1393 1185 A 34 ALA HB% A 31 ARG HDy 1.0 0.0 5.29 1394 1186 A 32 GLU HA A 58 PRO HBx 1.0 0.0 4.90 1395 1186 A 32 GLU HA A 58 PRO HBy 1.0 0.0 4.90 1396 1187 A 32 GLU HB3 A 57 GLY HAy 1.0 0.0 5.81 1397 1187 A 32 GLU HB2 A 57 GLY HAy 1.0 0.0 5.81 1398 1187 A 57 GLY HAx A 32 GLU HB2 1.0 0.0 5.81 1399 1187 A 32 GLU HB3 A 57 GLY HAx 1.0 0.0 5.81 1400 1188 A 32 GLU HG3 A 58 PRO HDx 1.0 0.0 5.25 1401 1188 A 58 PRO HDy A 32 GLU HG2 1.0 0.0 5.25 1402 1188 A 32 GLU HG3 A 58 PRO HDy 1.0 0.0 5.25 1403 1188 A 32 GLU HG2 A 58 PRO HDx 1.0 0.0 5.25 1404 1189 A 34 ALA H A 35 PRO HDx 1.0 0.0 5.61 1405 1189 A 34 ALA H A 35 PRO HDy 1.0 0.0 5.61 1406 1190 A 34 ALA HA A 35 PRO HGx 1.0 0.0 4.94 1407 1190 A 34 ALA HA A 35 PRO HGy 1.0 0.0 4.94 1408 1191 A 34 ALA HB% A 35 PRO HDx 1.0 0.0 4.26 1409 1191 A 34 ALA HB% A 35 PRO HDy 1.0 0.0 4.26 1410 1192 A 36 VAL H A 35 PRO HBy 1.0 0.0 4.18 1411 1192 A 36 VAL H A 35 PRO HBx 1.0 0.0 4.18 1412 1193 A 36 VAL H A 35 PRO HGx 1.0 0.0 5.31 1413 1193 A 36 VAL H A 35 PRO HGy 1.0 0.0 5.31 1414 1194 A 36 VAL HA A 37 ARG HGx 1.0 0.0 5.50 1415 1194 A 36 VAL HA A 37 ARG HGy 1.0 0.0 5.50 1416 1195 A 36 VAL HG1% A 60 ARG HBx 1.0 0.0 5.39 1417 1195 A 36 VAL HG1% A 60 ARG HBy 1.0 0.0 5.39 1418 1196 A 36 VAL HG1% A 60 ARG HGx 1.0 0.0 3.98 1419 1196 A 36 VAL HG1% A 60 ARG HGy 1.0 0.0 3.98 1420 1197 A 36 VAL HG1% A 60 ARG HDx 1.0 0.0 4.80 1421 1197 A 36 VAL HG1% A 60 ARG HDy 1.0 0.0 4.80 1422 1198 A 36 VAL HG2% A 60 ARG HBx 1.0 0.0 4.20 1423 1198 A 36 VAL HG2% A 60 ARG HBy 1.0 0.0 4.20 1424 1199 A 36 VAL HG2% A 60 ARG HGx 1.0 0.0 4.75 1425 1199 A 36 VAL HG2% A 60 ARG HGy 1.0 0.0 4.75 1426 1200 A 36 VAL HG2% A 60 ARG HDx 1.0 0.0 4.09 1427 1200 A 36 VAL HG2% A 60 ARG HDy 1.0 0.0 4.09 1428 1201 A 37 ARG H A 37 ARG HBx 1.0 0.0 3.73 1429 1201 A 37 ARG H A 37 ARG HBy 1.0 0.0 3.73 1430 1202 A 37 ARG H A 37 ARG HGx 1.0 0.0 4.88 1431 1202 A 37 ARG H A 37 ARG HGy 1.0 0.0 4.88 1432 1203 A 37 ARG HBy A 37 ARG HD2 1.0 0.0 3.50 1433 1203 A 37 ARG HBx A 37 ARG HD2 1.0 0.0 3.50 1434 1203 A 37 ARG HD3 A 37 ARG HBx 1.0 0.0 3.50 1435 1203 A 37 ARG HD3 A 37 ARG HBy 1.0 0.0 3.50 1436 1204 A 38 TRP H A 37 ARG HBx 1.0 0.0 4.17 1437 1204 A 38 TRP H A 37 ARG HBy 1.0 0.0 4.17 1438 1205 A 39 TYR HD% A 37 ARG HBx 1.0 0.0 4.68 1439 1205 A 39 TYR HD% A 37 ARG HBy 1.0 0.0 4.68 1440 1206 A 39 TYR HE% A 37 ARG HBx 1.0 0.0 3.56 1441 1206 A 39 TYR HE% A 37 ARG HBy 1.0 0.0 3.56 1442 1207 A 78 VAL H A 37 ARG HBx 1.0 0.0 5.54 1443 1207 A 78 VAL H A 37 ARG HBy 1.0 0.0 5.54 1444 1208 A 78 VAL HG2% A 37 ARG HBx 1.0 0.0 4.91 1445 1208 A 78 VAL HG2% A 37 ARG HBy 1.0 0.0 4.91 1446 1209 A 39 TYR HE% A 37 ARG HGx 1.0 0.0 5.12 1447 1209 A 39 TYR HE% A 37 ARG HGy 1.0 0.0 5.12 1448 1210 A 78 VAL HG1% A 37 ARG HGx 1.0 0.0 5.65 1449 1210 A 78 VAL HG1% A 37 ARG HGy 1.0 0.0 5.65 1450 1211 A 78 VAL HG2% A 37 ARG HGx 1.0 0.0 5.27 1451 1211 A 78 VAL HG2% A 37 ARG HGy 1.0 0.0 5.27 1452 1212 A 38 TRP HE3 A 62 LEU HBx 1.0 0.0 6.10 1453 1212 A 38 TRP HE3 A 62 LEU HBy 1.0 0.0 6.10 1454 1213 A 38 TRP HE3 A 75 PHE HBy 1.0 0.0 5.70 1455 1213 A 38 TRP HE3 A 75 PHE HBx 1.0 0.0 5.70 1456 1214 A 38 TRP HE3 A 77 CYS HBy 1.0 0.0 5.69 1457 1214 A 38 TRP HE3 A 77 CYS HBx 1.0 0.0 5.69 1458 1215 A 38 TRP HE1 A 60 ARG HBx 1.0 0.0 4.61 1459 1215 A 38 TRP HE1 A 60 ARG HBy 1.0 0.0 4.61 1460 1216 A 38 TRP HZ3 A 75 PHE HBy 1.0 0.0 3.86 1461 1216 A 38 TRP HZ3 A 75 PHE HBx 1.0 0.0 3.86 1462 1217 A 38 TRP HZ3 A 77 CYS HBy 1.0 0.0 5.25 1463 1217 A 38 TRP HZ3 A 77 CYS HBx 1.0 0.0 5.25 1464 1218 A 38 TRP HZ2 A 60 ARG HBx 1.0 0.0 4.42 1465 1218 A 38 TRP HZ2 A 60 ARG HBy 1.0 0.0 4.42 1466 1219 A 38 TRP HZ2 A 77 CYS HBy 1.0 0.0 5.94 1467 1219 A 38 TRP HZ2 A 77 CYS HBx 1.0 0.0 5.94 1468 1220 A 38 TRP HH2 A 62 LEU HBx 1.0 0.0 6.10 1469 1220 A 38 TRP HH2 A 62 LEU HBy 1.0 0.0 6.10 1470 1221 A 39 TYR H A 76 GLN HBy 1.0 0.0 4.98 1471 1221 A 39 TYR H A 76 GLN HBx 1.0 0.0 4.98 1472 1222 A 39 TYR HB2 A 76 GLN HBy 1.0 0.0 4.32 1473 1222 A 39 TYR HB2 A 76 GLN HBx 1.0 0.0 4.32 1474 1223 A 39 TYR HB3 A 76 GLN HBy 1.0 0.0 4.94 1475 1223 A 39 TYR HB3 A 76 GLN HBx 1.0 0.0 4.94 1476 1224 A 39 TYR HD% A 76 GLN HBy 1.0 0.0 4.84 1477 1224 A 39 TYR HD% A 76 GLN HBx 1.0 0.0 4.84 1478 1225 A 39 TYR HE% A 44 GLU HGy 1.0 0.0 5.19 1479 1225 A 39 TYR HE% A 44 GLU HGx 1.0 0.0 5.19 1480 1226 A 40 LYS H A 40 LYS HBx 1.0 0.0 3.83 1481 1226 A 40 LYS H A 40 LYS HBy 1.0 0.0 3.83 1482 1227 A 45 VAL HG1% A 40 LYS HBx 1.0 0.0 5.12 1483 1227 A 45 VAL HG1% A 40 LYS HBy 1.0 0.0 5.12 1484 1228 A 75 PHE HD% A 40 LYS HBx 1.0 0.0 4.90 1485 1228 A 75 PHE HD% A 40 LYS HBy 1.0 0.0 4.90 1486 1229 A 75 PHE HE% A 40 LYS HBx 1.0 0.0 4.96 1487 1229 A 75 PHE HE% A 40 LYS HBy 1.0 0.0 4.96 1488 1230 A 71 ASP HA A 40 LYS HGy 1.0 0.0 6.10 1489 1230 A 71 ASP HA A 40 LYS HGx 1.0 0.0 6.10 1490 1231 A 75 PHE HA A 40 LYS HGy 1.0 0.0 5.62 1491 1231 A 75 PHE HA A 40 LYS HGx 1.0 0.0 5.62 1492 1232 A 75 PHE HD% A 40 LYS HGy 1.0 0.0 6.10 1493 1232 A 75 PHE HD% A 40 LYS HGx 1.0 0.0 6.10 1494 1233 A 75 PHE HE% A 40 LYS HGy 1.0 0.0 5.63 1495 1233 A 75 PHE HE% A 40 LYS HGx 1.0 0.0 5.63 1496 1234 A 41 ASP H A 40 LYS HDy 1.0 0.0 5.53 1497 1234 A 41 ASP H A 40 LYS HDx 1.0 0.0 5.53 1498 1235 A 72 GLY H A 40 LYS HDy 1.0 0.0 5.82 1499 1235 A 72 GLY H A 40 LYS HDx 1.0 0.0 5.82 1500 1236 A 75 PHE HE% A 40 LYS HDy 1.0 0.0 5.65 1501 1236 A 75 PHE HE% A 40 LYS HDx 1.0 0.0 5.65 1502 1237 A 71 ASP HA A 40 LYS HEy 1.0 0.0 4.14 1503 1237 A 71 ASP HA A 40 LYS HEx 1.0 0.0 4.14 1504 1238 A 72 GLY H A 40 LYS HEy 1.0 0.0 4.67 1505 1238 A 72 GLY H A 40 LYS HEx 1.0 0.0 4.67 1506 1239 A 75 PHE HE% A 40 LYS HEy 1.0 0.0 4.78 1507 1239 A 75 PHE HE% A 40 LYS HEx 1.0 0.0 4.78 1508 1240 A 41 ASP H A 74 GLU HBy 1.0 0.0 6.10 1509 1240 A 41 ASP H A 74 GLU HBx 1.0 0.0 6.10 1510 1241 A 41 ASP HA A 74 GLU HBy 1.0 0.0 6.02 1511 1241 A 74 GLU HBx A 41 ASP HA 1.0 0.0 6.02 1512 1242 A 43 GLN H A 43 GLN HBy 1.0 0.0 3.62 1513 1242 A 43 GLN H A 43 GLN HBx 1.0 0.0 3.62 1514 1243 A 43 GLN H A 43 GLN HGx 1.0 0.0 4.92 1515 1243 A 43 GLN H A 43 GLN HGy 1.0 0.0 4.92 1516 1244 A 44 GLU H A 43 GLN HBy 1.0 0.0 4.35 1517 1244 A 44 GLU H A 43 GLN HBx 1.0 0.0 4.35 1518 1245 A 44 GLU H A 43 GLN HGx 1.0 0.0 4.97 1519 1245 A 44 GLU H A 43 GLN HGy 1.0 0.0 4.97 1520 1246 A 44 GLU HA A 44 GLU HGy 1.0 0.0 3.93 1521 1246 A 44 GLU HA A 44 GLU HGx 1.0 0.0 3.93 1522 1247 A 45 VAL HG2% A 44 GLU HGy 1.0 0.0 5.54 1523 1247 A 45 VAL HG2% A 44 GLU HGx 1.0 0.0 5.54 1524 1248 A 47 GLU H A 46 GLU HBx 1.0 0.0 4.38 1525 1248 A 47 GLU H A 46 GLU HBy 1.0 0.0 4.38 1526 1249 A 46 GLU HBx A 47 GLU HGx 1.0 0.0 5.64 1527 1249 A 47 GLU HGy A 46 GLU HBx 1.0 0.0 5.64 1528 1249 A 46 GLU HBy A 47 GLU HGy 1.0 0.0 5.64 1529 1249 A 46 GLU HBy A 47 GLU HGx 1.0 0.0 5.64 1530 1250 A 47 GLU H A 47 GLU HBx 1.0 0.0 3.61 1531 1250 A 47 GLU H A 47 GLU HBy 1.0 0.0 3.61 1532 1251 A 47 GLU H A 47 GLU HGx 1.0 0.0 4.03 1533 1251 A 47 GLU H A 47 GLU HGy 1.0 0.0 4.03 1534 1252 A 52 VAL HA A 47 GLU HBx 1.0 0.0 5.60 1535 1252 A 52 VAL HA A 47 GLU HBy 1.0 0.0 5.60 1536 1253 A 53 LEU H A 47 GLU HBx 1.0 0.0 5.53 1537 1253 A 53 LEU H A 47 GLU HBy 1.0 0.0 5.53 1538 1254 A 53 LEU HG A 47 GLU HBx 1.0 0.0 5.19 1539 1254 A 53 LEU HG A 47 GLU HBy 1.0 0.0 5.19 1540 1255 A 48 SER H A 47 GLU HGx 1.0 0.0 5.60 1541 1255 A 48 SER H A 47 GLU HGy 1.0 0.0 5.60 1542 1256 A 51 VAL HG1% A 47 GLU HGx 1.0 0.0 5.70 1543 1256 A 51 VAL HG1% A 47 GLU HGy 1.0 0.0 5.70 1544 1257 A 52 VAL HA A 47 GLU HGx 1.0 0.0 4.97 1545 1257 A 52 VAL HA A 47 GLU HGy 1.0 0.0 4.97 1546 1258 A 53 LEU H A 47 GLU HGx 1.0 0.0 4.98 1547 1258 A 53 LEU H A 47 GLU HGy 1.0 0.0 4.98 1548 1259 A 53 LEU HB2 A 47 GLU HGx 1.0 0.0 5.31 1549 1259 A 53 LEU HB2 A 47 GLU HGy 1.0 0.0 5.31 1550 1260 A 53 LEU HD1% A 47 GLU HGx 1.0 0.0 4.54 1551 1260 A 53 LEU HD1% A 47 GLU HGy 1.0 0.0 4.54 1552 1261 A 49 ASP H A 48 SER HBx 1.0 0.0 3.72 1553 1261 A 49 ASP H A 48 SER HBy 1.0 0.0 3.72 1554 1262 A 51 VAL H A 48 SER HBx 1.0 0.0 5.64 1555 1262 A 51 VAL H A 48 SER HBy 1.0 0.0 5.64 1556 1263 A 49 ASP H A 49 ASP HBx 1.0 0.0 3.79 1557 1263 A 49 ASP H A 49 ASP HBy 1.0 0.0 3.79 1558 1264 A 50 PHE HD% A 49 ASP HBx 1.0 0.0 5.08 1559 1264 A 50 PHE HD% A 49 ASP HBy 1.0 0.0 5.08 1560 1265 A 50 PHE H A 50 PHE HBy 1.0 0.0 3.89 1561 1265 A 50 PHE H A 50 PHE HBx 1.0 0.0 3.89 1562 1266 A 50 PHE HA A 65 PRO HGx 1.0 0.0 5.25 1563 1266 A 50 PHE HA A 65 PRO HGy 1.0 0.0 5.25 1564 1267 A 51 VAL HG2% A 50 PHE HBy 1.0 0.0 4.70 1565 1267 A 51 VAL HG2% A 50 PHE HBx 1.0 0.0 4.70 1566 1268 A 50 PHE HD% A 65 PRO HGx 1.0 0.0 5.44 1567 1268 A 50 PHE HD% A 65 PRO HGy 1.0 0.0 5.44 1568 1269 A 51 VAL HA A 64 LEU HBx 1.0 0.0 6.10 1569 1269 A 51 VAL HA A 64 LEU HBy 1.0 0.0 6.10 1570 1270 A 51 VAL HA A 65 PRO HGx 1.0 0.0 5.33 1571 1270 A 51 VAL HA A 65 PRO HGy 1.0 0.0 5.33 1572 1271 A 51 VAL HA A 65 PRO HDx 1.0 0.0 4.23 1573 1271 A 51 VAL HA A 65 PRO HDy 1.0 0.0 4.23 1574 1272 A 51 VAL HG1% A 65 PRO HDx 1.0 0.0 5.76 1575 1272 A 51 VAL HG1% A 65 PRO HDy 1.0 0.0 5.76 1576 1273 A 51 VAL HG2% A 65 PRO HDx 1.0 0.0 5.68 1577 1273 A 51 VAL HG2% A 65 PRO HDy 1.0 0.0 5.68 1578 1274 A 52 VAL H A 65 PRO HDx 1.0 0.0 4.89 1579 1274 A 52 VAL H A 65 PRO HDy 1.0 0.0 4.89 1580 1275 A 52 VAL HG1% A 65 PRO HDx 1.0 0.0 5.40 1581 1275 A 52 VAL HG1% A 65 PRO HDy 1.0 0.0 5.40 1582 1276 A 52 VAL HG2% A 54 GLU HBy 1.0 0.0 5.19 1583 1276 A 52 VAL HG2% A 54 GLU HBx 1.0 0.0 5.19 1584 1277 A 52 VAL HG2% A 54 GLU HGy 1.0 0.0 4.79 1585 1277 A 52 VAL HG2% A 54 GLU HGx 1.0 0.0 4.79 1586 1278 A 52 VAL HG2% A 65 PRO HGx 1.0 0.0 4.38 1587 1278 A 52 VAL HG2% A 65 PRO HGy 1.0 0.0 4.38 1588 1279 A 52 VAL HG2% A 65 PRO HDx 1.0 0.0 4.54 1589 1279 A 52 VAL HG2% A 65 PRO HDy 1.0 0.0 4.54 1590 1280 A 53 LEU HD2% A 62 LEU HBx 1.0 0.0 4.22 1591 1280 A 53 LEU HD2% A 62 LEU HBy 1.0 0.0 4.22 1592 1281 A 54 GLU H A 54 GLU HGy 1.0 0.0 4.81 1593 1281 A 54 GLU H A 54 GLU HGx 1.0 0.0 4.81 1594 1282 A 55 ASN H A 54 GLU HBy 1.0 0.0 4.55 1595 1282 A 55 ASN H A 54 GLU HBx 1.0 0.0 4.55 1596 1283 A 61 ARG H A 54 GLU HBy 1.0 0.0 5.57 1597 1283 A 61 ARG H A 54 GLU HBx 1.0 0.0 5.57 1598 1284 A 63 VAL HG2% A 54 GLU HBy 1.0 0.0 5.32 1599 1284 A 63 VAL HG2% A 54 GLU HBx 1.0 0.0 5.32 1600 1285 A 63 VAL HG2% A 54 GLU HGy 1.0 0.0 4.84 1601 1285 A 63 VAL HG2% A 54 GLU HGx 1.0 0.0 4.84 1602 1286 A 55 ASN H A 55 ASN HBy 1.0 0.0 3.86 1603 1286 A 55 ASN H A 55 ASN HBx 1.0 0.0 3.86 1604 1287 A 55 ASN HA A 56 GLU HBx 1.0 0.0 5.45 1605 1287 A 55 ASN HA A 56 GLU HBy 1.0 0.0 5.45 1606 1288 A 55 ASN HA A 60 ARG HGx 1.0 0.0 6.10 1607 1288 A 55 ASN HA A 60 ARG HGy 1.0 0.0 6.10 1608 1289 A 55 ASN HA A 60 ARG HDx 1.0 0.0 5.03 1609 1289 A 55 ASN HA A 60 ARG HDy 1.0 0.0 5.03 1610 1290 A 55 ASN HA A 61 ARG HGx 1.0 0.0 6.10 1611 1290 A 55 ASN HA A 61 ARG HGy 1.0 0.0 6.10 1612 1291 A 55 ASN HBy A 60 ARG HDx 1.0 0.0 5.43 1613 1291 A 55 ASN HBx A 60 ARG HDx 1.0 0.0 5.43 1614 1291 A 60 ARG HDy A 55 ASN HBy 1.0 0.0 5.43 1615 1291 A 60 ARG HDy A 55 ASN HBx 1.0 0.0 5.43 1616 1292 A 56 GLU HA A 57 GLY HAy 1.0 0.0 5.39 1617 1292 A 57 GLY HAx A 56 GLU HA 1.0 0.0 5.39 1618 1293 A 56 GLU HBy A 57 GLY HAy 1.0 0.0 5.41 1619 1293 A 56 GLU HBx A 57 GLY HAy 1.0 0.0 5.41 1620 1293 A 57 GLY HAx A 56 GLU HBx 1.0 0.0 5.41 1621 1293 A 57 GLY HAx A 56 GLU HBy 1.0 0.0 5.41 1622 1294 A 57 GLY H A 56 GLU HGx 1.0 0.0 5.55 1623 1294 A 56 GLU HGy A 57 GLY H 1.0 0.0 5.55 1624 1295 A 57 GLY HAx A 58 PRO HGy 1.0 0.0 4.63 1625 1295 A 58 PRO HGx A 57 GLY HAy 1.0 0.0 4.63 1626 1295 A 57 GLY HAx A 58 PRO HGx 1.0 0.0 4.63 1627 1295 A 57 GLY HAy A 58 PRO HGy 1.0 0.0 4.63 1628 1296 A 57 GLY HAy A 58 PRO HDx 1.0 0.0 3.27 1629 1296 A 57 GLY HAx A 58 PRO HDx 1.0 0.0 3.27 1630 1296 A 58 PRO HDy A 57 GLY HAy 1.0 0.0 3.27 1631 1296 A 57 GLY HAx A 58 PRO HDy 1.0 0.0 3.27 1632 1297 A 59 HIS HD2 A 57 GLY HAy 1.0 0.0 6.00 1633 1297 A 59 HIS HD2 A 57 GLY HAx 1.0 0.0 6.00 1634 1298 A 59 HIS H A 58 PRO HGy 1.0 0.0 4.60 1635 1298 A 59 HIS H A 58 PRO HGx 1.0 0.0 4.60 1636 1299 A 59 HIS H A 58 PRO HDx 1.0 0.0 4.33 1637 1299 A 59 HIS H A 58 PRO HDy 1.0 0.0 4.33 1638 1300 A 59 HIS HD2 A 58 PRO HDx 1.0 0.0 4.37 1639 1300 A 59 HIS HD2 A 58 PRO HDy 1.0 0.0 4.37 1640 1301 A 59 HIS HA A 60 ARG HGx 1.0 0.0 6.10 1641 1301 A 59 HIS HA A 60 ARG HGy 1.0 0.0 6.10 1642 1302 A 59 HIS HA A 61 ARG HGx 1.0 0.0 5.75 1643 1302 A 59 HIS HA A 61 ARG HGy 1.0 0.0 5.75 1644 1303 A 59 HIS HB3 A 61 ARG HBx 1.0 0.0 6.10 1645 1303 A 59 HIS HB3 A 61 ARG HBy 1.0 0.0 6.10 1646 1304 A 59 HIS HB3 A 61 ARG HGx 1.0 0.0 6.10 1647 1304 A 59 HIS HB3 A 61 ARG HGy 1.0 0.0 6.10 1648 1305 A 60 ARG H A 60 ARG HGx 1.0 0.0 4.33 1649 1305 A 60 ARG H A 60 ARG HGy 1.0 0.0 4.33 1650 1306 A 60 ARG HA A 60 ARG HDx 1.0 0.0 4.07 1651 1306 A 60 ARG HA A 60 ARG HDy 1.0 0.0 4.07 1652 1307 A 60 ARG HA A 61 ARG HGx 1.0 0.0 5.12 1653 1307 A 60 ARG HA A 61 ARG HGy 1.0 0.0 5.12 1654 1308 A 61 ARG H A 60 ARG HDx 1.0 0.0 5.04 1655 1308 A 61 ARG H A 60 ARG HDy 1.0 0.0 5.04 1656 1309 A 61 ARG H A 61 ARG HBx 1.0 0.0 3.82 1657 1309 A 61 ARG H A 61 ARG HBy 1.0 0.0 3.82 1658 1310 A 61 ARG H A 61 ARG HGx 1.0 0.0 4.26 1659 1310 A 61 ARG H A 61 ARG HGy 1.0 0.0 4.26 1660 1311 A 61 ARG H A 61 ARG HDy 1.0 0.0 6.10 1661 1311 A 61 ARG H A 61 ARG HDx 1.0 0.0 6.10 1662 1312 A 62 LEU H A 61 ARG HBx 1.0 0.0 4.27 1663 1312 A 62 LEU H A 61 ARG HBy 1.0 0.0 4.27 1664 1313 A 63 VAL HG2% A 61 ARG HBx 1.0 0.0 3.90 1665 1313 A 63 VAL HG2% A 61 ARG HBy 1.0 0.0 3.90 1666 1314 A 63 VAL HG2% A 61 ARG HDy 1.0 0.0 4.86 1667 1314 A 63 VAL HG2% A 61 ARG HDx 1.0 0.0 4.86 1668 1315 A 62 LEU HD2% A 75 PHE HBy 1.0 0.0 6.10 1669 1315 A 62 LEU HD2% A 75 PHE HBx 1.0 0.0 6.10 1670 1316 A 63 VAL HA A 64 LEU HBx 1.0 0.0 5.89 1671 1316 A 63 VAL HA A 64 LEU HBy 1.0 0.0 5.89 1672 1317 A 64 LEU H A 65 PRO HDx 1.0 0.0 5.51 1673 1317 A 64 LEU H A 65 PRO HDy 1.0 0.0 5.51 1674 1318 A 64 LEU HBy A 65 PRO HDx 1.0 0.0 5.23 1675 1318 A 65 PRO HDy A 64 LEU HBx 1.0 0.0 5.23 1676 1318 A 64 LEU HBy A 65 PRO HDy 1.0 0.0 5.23 1677 1318 A 64 LEU HBx A 65 PRO HDx 1.0 0.0 5.23 1678 1319 A 66 ALA H A 64 LEU HBx 1.0 0.0 5.81 1679 1319 A 66 ALA H A 64 LEU HBy 1.0 0.0 5.81 1680 1320 A 67 THR H A 64 LEU HBx 1.0 0.0 5.76 1681 1320 A 67 THR H A 64 LEU HBy 1.0 0.0 5.76 1682 1321 A 67 THR HA A 64 LEU HBx 1.0 0.0 4.77 1683 1321 A 67 THR HA A 64 LEU HBy 1.0 0.0 4.77 1684 1322 A 67 THR HG2% A 64 LEU HBx 1.0 0.0 4.69 1685 1322 A 67 THR HG2% A 64 LEU HBy 1.0 0.0 4.69 1686 1323 A 64 LEU HD1% A 65 PRO HDx 1.0 0.0 4.50 1687 1323 A 64 LEU HD1% A 65 PRO HDy 1.0 0.0 4.50 1688 1324 A 66 ALA H A 65 PRO HGx 1.0 0.0 5.01 1689 1324 A 66 ALA H A 65 PRO HGy 1.0 0.0 5.01 1690 1325 A 66 ALA HB% A 65 PRO HGx 1.0 0.0 5.22 1691 1325 A 66 ALA HB% A 65 PRO HGy 1.0 0.0 5.22 1692 1326 A 66 ALA H A 65 PRO HDx 1.0 0.0 4.32 1693 1326 A 66 ALA H A 65 PRO HDy 1.0 0.0 4.32 1694 1327 A 67 THR HB A 90 ILE HG1x 1.0 0.0 5.58 1695 1327 A 67 THR HB A 90 ILE HG1y 1.0 0.0 5.58 1696 1328 A 67 THR HG2% A 90 ILE HG1x 1.0 0.0 4.47 1697 1328 A 67 THR HG2% A 90 ILE HG1y 1.0 0.0 4.47 1698 1329 A 68 GLN H A 68 GLN HGy 1.0 0.0 5.33 1699 1329 A 68 GLN H A 68 GLN HGx 1.0 0.0 5.33 1700 1330 A 68 GLN HBy A 69 PRO HD2 1.0 0.0 3.84 1701 1330 A 68 GLN HBx A 69 PRO HD2 1.0 0.0 3.84 1702 1330 A 69 PRO HD3 A 68 GLN HBy 1.0 0.0 3.84 1703 1330 A 69 PRO HD3 A 68 GLN HBx 1.0 0.0 3.84 1704 1331 A 70 SER H A 68 GLN HBy 1.0 0.0 4.75 1705 1331 A 70 SER H A 68 GLN HBx 1.0 0.0 4.75 1706 1332 A 71 ASP H A 68 GLN HBy 1.0 0.0 5.30 1707 1332 A 71 ASP H A 68 GLN HBx 1.0 0.0 5.30 1708 1333 A 72 GLY H A 68 GLN HBy 1.0 0.0 6.10 1709 1333 A 72 GLY H A 68 GLN HBx 1.0 0.0 6.10 1710 1334 A 68 GLN HGy A 69 PRO HD2 1.0 0.0 4.89 1711 1334 A 68 GLN HGx A 69 PRO HD2 1.0 0.0 4.89 1712 1334 A 69 PRO HD3 A 68 GLN HGy 1.0 0.0 4.89 1713 1334 A 69 PRO HD3 A 68 GLN HGx 1.0 0.0 4.89 1714 1335 A 71 ASP H A 68 GLN HGy 1.0 0.0 6.10 1715 1335 A 71 ASP H A 68 GLN HGx 1.0 0.0 6.10 1716 1336 A 69 PRO HA A 90 ILE HG1x 1.0 0.0 4.92 1717 1336 A 69 PRO HA A 90 ILE HG1y 1.0 0.0 4.92 1718 1337 A 90 ILE HG2% A 69 PRO HBy 1.0 0.0 5.46 1719 1337 A 90 ILE HG2% A 69 PRO HBx 1.0 0.0 5.46 1720 1338 A 70 SER H A 69 PRO HGx 1.0 0.0 5.11 1721 1338 A 70 SER H A 69 PRO HGy 1.0 0.0 5.11 1722 1339 A 69 PRO HGy A 70 SER HBx 1.0 0.0 5.28 1723 1339 A 69 PRO HGx A 70 SER HBx 1.0 0.0 5.28 1724 1339 A 70 SER HBy A 69 PRO HGx 1.0 0.0 5.28 1725 1339 A 69 PRO HGy A 70 SER HBy 1.0 0.0 5.28 1726 1340 A 88 VAL H A 72 GLY HAx 1.0 0.0 6.03 1727 1340 A 88 VAL H A 72 GLY HAy 1.0 0.0 6.03 1728 1341 A 88 VAL HB A 72 GLY HAx 1.0 0.0 4.47 1729 1341 A 88 VAL HB A 72 GLY HAy 1.0 0.0 4.47 1730 1342 A 88 VAL HG1% A 72 GLY HAx 1.0 0.0 4.18 1731 1342 A 88 VAL HG1% A 72 GLY HAy 1.0 0.0 4.18 1732 1343 A 90 ILE H A 72 GLY HAx 1.0 0.0 5.63 1733 1343 A 90 ILE H A 72 GLY HAy 1.0 0.0 5.63 1734 1344 A 90 ILE HD1% A 72 GLY HAx 1.0 0.0 5.24 1735 1344 A 90 ILE HD1% A 72 GLY HAy 1.0 0.0 5.24 1736 1345 A 73 GLY H A 74 GLU HGy 1.0 0.0 5.69 1737 1345 A 73 GLY H A 74 GLU HGx 1.0 0.0 5.69 1738 1346 A 74 GLU H A 74 GLU HBy 1.0 0.0 3.80 1739 1346 A 74 GLU H A 74 GLU HBx 1.0 0.0 3.80 1740 1347 A 74 GLU H A 74 GLU HGy 1.0 0.0 4.39 1741 1347 A 74 GLU H A 74 GLU HGx 1.0 0.0 4.39 1742 1348 A 75 PHE H A 74 GLU HGy 1.0 0.0 5.89 1743 1348 A 75 PHE H A 74 GLU HGx 1.0 0.0 5.89 1744 1349 A 75 PHE H A 86 PHE HBy 1.0 0.0 5.25 1745 1349 A 75 PHE H A 86 PHE HBx 1.0 0.0 5.25 1746 1350 A 75 PHE HA A 76 GLN HBy 1.0 0.0 5.75 1747 1350 A 75 PHE HA A 76 GLN HBx 1.0 0.0 5.75 1748 1351 A 76 GLN H A 75 PHE HBy 1.0 0.0 4.55 1749 1351 A 76 GLN H A 75 PHE HBx 1.0 0.0 4.55 1750 1352 A 86 PHE H A 75 PHE HBy 1.0 0.0 5.44 1751 1352 A 86 PHE H A 75 PHE HBx 1.0 0.0 5.44 1752 1353 A 75 PHE HBx A 86 PHE HBy 1.0 0.0 4.58 1753 1353 A 75 PHE HBy A 86 PHE HBy 1.0 0.0 4.58 1754 1353 A 86 PHE HBx A 75 PHE HBy 1.0 0.0 4.58 1755 1353 A 86 PHE HBx A 75 PHE HBx 1.0 0.0 4.58 1756 1354 A 86 PHE HD% A 75 PHE HBy 1.0 0.0 5.05 1757 1354 A 86 PHE HD% A 75 PHE HBx 1.0 0.0 5.05 1758 1355 A 88 VAL H A 75 PHE HBy 1.0 0.0 6.10 1759 1355 A 88 VAL H A 75 PHE HBx 1.0 0.0 6.10 1760 1356 A 76 GLN HBy A 76 GLN HE2y 1.0 0.0 4.45 1761 1356 A 76 GLN HBx A 76 GLN HE2y 1.0 0.0 4.45 1762 1356 A 76 GLN HE2x A 76 GLN HBy 1.0 0.0 4.45 1763 1356 A 76 GLN HBx A 76 GLN HE2x 1.0 0.0 4.45 1764 1357 A 77 CYS H A 76 GLN HBy 1.0 0.0 4.07 1765 1357 A 77 CYS H A 76 GLN HBx 1.0 0.0 4.07 1766 1358 A 78 VAL HG2% A 76 GLN HBy 1.0 0.0 4.60 1767 1358 A 78 VAL HG2% A 76 GLN HBx 1.0 0.0 4.60 1768 1359 A 76 GLN HBx A 83 CYS HB2 1.0 0.0 6.09 1769 1359 A 76 GLN HBy A 83 CYS HB2 1.0 0.0 6.09 1770 1359 A 83 CYS HB3 A 76 GLN HBy 1.0 0.0 6.09 1771 1359 A 83 CYS HB3 A 76 GLN HBx 1.0 0.0 6.09 1772 1360 A 77 CYS H A 76 GLN HGx 1.0 0.0 4.91 1773 1360 A 77 CYS H A 76 GLN HGy 1.0 0.0 4.91 1774 1361 A 76 GLN HGy A 83 CYS HB2 1.0 0.0 6.10 1775 1361 A 76 GLN HGx A 83 CYS HB2 1.0 0.0 6.10 1776 1361 A 83 CYS HB3 A 76 GLN HGx 1.0 0.0 6.10 1777 1361 A 83 CYS HB3 A 76 GLN HGy 1.0 0.0 6.10 1778 1362 A 78 VAL HG2% A 76 GLN HE2y 1.0 0.0 3.85 1779 1362 A 78 VAL HG2% A 76 GLN HE2x 1.0 0.0 3.85 1780 1363 A 76 GLN HE2y A 83 CYS HB2 1.0 0.0 5.62 1781 1363 A 76 GLN HE2x A 83 CYS HB2 1.0 0.0 5.62 1782 1363 A 83 CYS HB3 A 76 GLN HE2y 1.0 0.0 5.62 1783 1363 A 83 CYS HB3 A 76 GLN HE2x 1.0 0.0 5.62 1784 1364 A 84 ALA H A 77 CYS HBy 1.0 0.0 5.08 1785 1364 A 84 ALA H A 77 CYS HBx 1.0 0.0 5.08 1786 1365 A 84 ALA HB% A 77 CYS HBy 1.0 0.0 3.99 1787 1365 A 84 ALA HB% A 77 CYS HBx 1.0 0.0 3.99 1788 1366 A 86 PHE HE% A 77 CYS HBy 1.0 0.0 4.88 1789 1366 A 86 PHE HE% A 77 CYS HBx 1.0 0.0 4.88 1790 1367 A 79 ALA HB% A 82 GLU HBx 1.0 0.0 4.94 1791 1367 A 79 ALA HB% A 82 GLU HBy 1.0 0.0 4.94 1792 1368 A 82 GLU H A 80 GLY HAx 1.0 0.0 5.29 1793 1368 A 82 GLU H A 80 GLY HAy 1.0 0.0 5.29 1794 1369 A 81 ASP H A 82 GLU HBx 1.0 0.0 6.10 1795 1369 A 81 ASP H A 82 GLU HBy 1.0 0.0 6.10 1796 1370 A 82 GLU H A 81 ASP HBy 1.0 0.0 4.56 1797 1370 A 82 GLU H A 81 ASP HBx 1.0 0.0 4.56 1798 1371 A 82 GLU H A 82 GLU HBx 1.0 0.0 3.84 1799 1371 A 82 GLU H A 82 GLU HBy 1.0 0.0 3.84 1800 1372 A 82 GLU H A 82 GLU HGy 1.0 0.0 4.66 1801 1372 A 82 GLU H A 82 GLU HGx 1.0 0.0 4.66 1802 1373 A 82 GLU HA A 82 GLU HGy 1.0 0.0 3.86 1803 1373 A 82 GLU HA A 82 GLU HGx 1.0 0.0 3.86 1804 1374 A 83 CYS H A 82 GLU HBx 1.0 0.0 3.84 1805 1374 A 83 CYS H A 82 GLU HBy 1.0 0.0 3.84 1806 1375 A 83 CYS H A 82 GLU HGy 1.0 0.0 4.82 1807 1375 A 83 CYS H A 82 GLU HGx 1.0 0.0 4.82 1808 1376 A 85 TYR H A 85 TYR HBx 1.0 0.0 3.87 1809 1376 A 85 TYR H A 85 TYR HBy 1.0 0.0 3.87 1810 1377 A 86 PHE H A 85 TYR HBx 1.0 0.0 4.61 1811 1377 A 86 PHE H A 85 TYR HBy 1.0 0.0 4.61 1812 1378 A 88 VAL HG2% A 86 PHE HBy 1.0 0.0 5.17 1813 1378 A 88 VAL HG2% A 86 PHE HBx 1.0 0.0 5.17 1814 1379 A 88 VAL HG1% A 90 ILE HG1x 1.0 0.0 4.09 1815 1379 A 88 VAL HG1% A 90 ILE HG1y 1.0 0.0 4.09 1816 1380 A 90 ILE H A 90 ILE HG1x 1.0 0.0 5.09 1817 1380 A 90 ILE H A 90 ILE HG1y 1.0 0.0 5.09 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 12 HIS C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -151.3 -87.5 PHI 2 2 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 PHE N 1.0 104.1 152.1 PSI 3 3 A 13 VAL C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -145.7 -77.7 PHI 4 4 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 VAL N 1.0 113.3 141.1 PSI 5 5 A 14 PHE C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -138.4 -87.0 PHI 6 6 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 HIS N 1.0 104.7 141.9 PSI 7 7 A 15 VAL C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -148.2 -77.6 PHI 8 8 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 ALA N 1.0 105.6 141.6 PSI 9 9 A 16 HIS C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -174.5 -76.9 PHI 10 10 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ILE N 1.0 113.3 186.5 PSI 11 11 A 21 GLU C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -148.0 -58.0 PHI 12 12 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 VAL N 1.0 86.5 159.1 PSI 13 13 A 22 CYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -130.5 -97.9 PHI 14 14 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 MET N 1.0 110.3 151.5 PSI 15 15 A 23 VAL C A 24 MET N A 24 MET CA A 24 MET C 1.0 -137.4 -101.4 PHI 16 16 A 24 MET N A 24 MET CA A 24 MET C A 25 LEU N 1.0 92.8 149.8 PSI 17 17 A 24 MET C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -132.1 -79.3 PHI 18 18 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 ALA N 1.0 100.0 154.4 PSI 19 19 A 25 LEU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -159.6 -88.0 PHI 20 20 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 CYS N 1.0 110.9 165.5 PSI 21 21 A 26 ALA C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -152.6 -96.4 PHI 22 22 A 27 CYS N A 27 CYS CA A 27 CYS C A 28 GLU N 1.0 118.0 140.4 PSI 23 23 A 27 CYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -147.3 -95.1 PHI 24 24 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 VAL N 1.0 117.7 170.3 PSI 25 25 A 35 PRO C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -155.2 -72.2 PHI 26 26 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ARG N 1.0 151.6 171.8 PSI 27 27 A 36 VAL C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -156.3 -98.3 PHI 28 28 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 TRP N 1.0 98.6 171.6 PSI 29 29 A 37 ARG C A 38 TRP N A 38 TRP CA A 38 TRP C 1.0 -154.4 -89.2 PHI 30 30 A 38 TRP N A 38 TRP CA A 38 TRP C A 39 TYR N 1.0 111.1 161.9 PSI 31 31 A 38 TRP C A 39 TYR N A 39 TYR CA A 39 TYR C 1.0 -146.6 -116.2 PHI 32 32 A 39 TYR N A 39 TYR CA A 39 TYR C A 40 LYS N 1.0 130.1 177.1 PSI 33 33 A 51 VAL C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -156.0 -76.2 PHI 34 34 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 LEU N 1.0 112.9 155.1 PSI 35 35 A 52 VAL C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -125.2 -74.4 PHI 36 36 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLU N 1.0 90.7 161.9 PSI 37 37 A 53 LEU C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -166.5 -98.9 PHI 38 38 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ASN N 1.0 112.0 175.6 PSI 39 39 A 54 GLU C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 -134.0 -83.4 PHI 40 40 A 55 ASN N A 55 ASN CA A 55 ASN C A 56 GLU N 1.0 114.5 154.9 PSI 41 41 A 60 ARG C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -159.5 -99.7 PHI 42 42 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 LEU N 1.0 107.2 172.8 PSI 43 43 A 61 ARG C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -135.4 -63.2 PHI 44 44 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 VAL N 1.0 93.8 137.6 PSI 45 45 A 62 LEU C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -128.5 -94.1 PHI 46 46 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 LEU N 1.0 105.8 142.0 PSI 47 47 A 73 GLY C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -139.1 -80.3 PHI 48 48 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 PHE N 1.0 87.9 154.7 PSI 49 49 A 74 GLU C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -142.2 -91.6 PHI 50 50 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 GLN N 1.0 116.5 164.3 PSI 51 51 A 75 PHE C A 76 GLN N A 76 GLN CA A 76 GLN C 1.0 -146.4 -102.0 PHI 52 52 A 76 GLN N A 76 GLN CA A 76 GLN C A 77 CYS N 1.0 101.7 163.3 PSI 53 53 A 76 GLN C A 77 CYS N A 77 CYS CA A 77 CYS C 1.0 -128.7 -71.5 PHI 54 54 A 77 CYS N A 77 CYS CA A 77 CYS C A 78 VAL N 1.0 99.1 144.5 PSI 55 55 A 77 CYS C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -129.2 -84.0 PHI 56 56 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 ALA N 1.0 102.3 139.9 PSI 57 57 A 82 GLU C A 83 CYS N A 83 CYS CA A 83 CYS C 1.0 -165.5 -91.9 PHI 58 58 A 83 CYS N A 83 CYS CA A 83 CYS C A 84 ALA N 1.0 104.5 174.7 PSI 59 59 A 83 CYS C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -146.8 -95.6 PHI 60 60 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 TYR N 1.0 106.4 163.4 PSI 61 61 A 84 ALA C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -165.4 -80.2 PHI 62 62 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 PHE N 1.0 124.8 179.6 PSI 63 63 A 85 TYR C A 86 PHE N A 86 PHE CA A 86 PHE C 1.0 -168.1 -96.9 PHI 64 64 A 86 PHE N A 86 PHE CA A 86 PHE C A 87 THR N 1.0 113.2 162.2 PSI 65 65 A 86 PHE C A 87 THR N A 87 THR CA A 87 THR C 1.0 -157.4 -62.2 PHI 66 66 A 87 THR N A 87 THR CA A 87 THR C A 88 VAL N 1.0 102.9 144.9 PSI 67 67 A 87 THR C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -139.6 -91.6 PHI 68 68 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 THR N 1.0 103.1 147.3 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 4 VAL N A 4 VAL H 1.0 . . . 2 2 A 7 VAL N A 7 VAL H 1.0 . . . 3 3 A 8 ASP N A 8 ASP H 1.0 . . . 4 4 A 10 ARG N A 10 ARG H 1.0 . . . 5 5 A 11 GLU N A 11 GLU H 1.0 . . . 6 6 A 12 HIS N A 12 HIS H 1.0 . . . 7 7 A 13 VAL N A 13 VAL H 1.0 . . . 8 8 A 14 PHE N A 14 PHE H 1.0 . . . 9 9 A 15 VAL N A 15 VAL H 1.0 . . . 10 10 A 16 HIS N A 16 HIS H 1.0 . . . 11 11 A 17 ALA N A 17 ALA H 1.0 . . . 12 12 A 18 ILE N A 18 ILE H 1.0 . . . 13 13 A 19 THR N A 19 THR H 1.0 . . . 14 14 A 21 GLU N A 21 GLU H 1.0 . . . 15 15 A 23 VAL N A 23 VAL H 1.0 . . . 16 16 A 25 LEU N A 25 LEU H 1.0 . . . 17 17 A 26 ALA N A 26 ALA H 1.0 . . . 18 18 A 27 CYS N A 27 CYS H 1.0 . . . 19 19 A 28 GLU N A 28 GLU H 1.0 . . . 20 20 A 29 VAL N A 29 VAL H 1.0 . . . 21 21 A 30 ASP N A 30 ASP H 1.0 . . . 22 22 A 31 ARG N A 31 ARG H 1.0 . . . 23 23 A 32 GLU N A 32 GLU H 1.0 . . . 24 24 A 33 ASP N A 33 ASP H 1.0 . . . 25 25 A 34 ALA N A 34 ALA H 1.0 . . . 26 26 A 36 VAL N A 36 VAL H 1.0 . . . 27 27 A 37 ARG N A 37 ARG H 1.0 . . . 28 28 A 39 TYR N A 39 TYR H 1.0 . . . 29 29 A 40 LYS N A 40 LYS H 1.0 . . . 30 30 A 41 ASP N A 41 ASP H 1.0 . . . 31 31 A 42 GLY N A 42 GLY H 1.0 . . . 32 32 A 43 GLN N A 43 GLN H 1.0 . . . 33 33 A 44 GLU N A 44 GLU H 1.0 . . . 34 34 A 45 VAL N A 45 VAL H 1.0 . . . 35 35 A 46 GLU N A 46 GLU H 1.0 . . . 36 36 A 47 GLU N A 47 GLU H 1.0 . . . 37 37 A 48 SER N A 48 SER H 1.0 . . . 38 38 A 49 ASP N A 49 ASP H 1.0 . . . 39 39 A 50 PHE N A 50 PHE H 1.0 . . . 40 40 A 51 VAL N A 51 VAL H 1.0 . . . 41 41 A 52 VAL N A 52 VAL H 1.0 . . . 42 42 A 53 LEU N A 53 LEU H 1.0 . . . 43 43 A 54 GLU N A 54 GLU H 1.0 . . . 44 44 A 55 ASN N A 55 ASN H 1.0 . . . 45 45 A 56 GLU N A 56 GLU H 1.0 . . . 46 46 A 57 GLY N A 57 GLY H 1.0 . . . 47 47 A 59 HIS N A 59 HIS H 1.0 . . . 48 48 A 60 ARG N A 60 ARG H 1.0 . . . 49 49 A 61 ARG N A 61 ARG H 1.0 . . . 50 50 A 62 LEU N A 62 LEU H 1.0 . . . 51 51 A 63 VAL N A 63 VAL H 1.0 . . . 52 52 A 64 LEU N A 64 LEU H 1.0 . . . 53 53 A 66 ALA N A 66 ALA H 1.0 . . . 54 54 A 67 THR N A 67 THR H 1.0 . . . 55 55 A 70 SER N A 70 SER H 1.0 . . . 56 56 A 71 ASP N A 71 ASP H 1.0 . . . 57 57 A 72 GLY N A 72 GLY H 1.0 . . . 58 58 A 73 GLY N A 73 GLY H 1.0 . . . 59 59 A 74 GLU N A 74 GLU H 1.0 . . . 60 60 A 75 PHE N A 75 PHE H 1.0 . . . 61 61 A 76 GLN N A 76 GLN H 1.0 . . . 62 62 A 77 CYS N A 77 CYS H 1.0 . . . 63 63 A 78 VAL N A 78 VAL H 1.0 . . . 64 64 A 79 ALA N A 79 ALA H 1.0 . . . 65 65 A 80 GLY N A 80 GLY H 1.0 . . . 66 66 A 82 GLU N A 82 GLU H 1.0 . . . 67 67 A 83 CYS N A 83 CYS H 1.0 . . . 68 68 A 84 ALA N A 84 ALA H 1.0 . . . 69 69 A 85 TYR N A 85 TYR H 1.0 . . . 70 70 A 86 PHE N A 86 PHE H 1.0 . . . 71 71 A 87 THR N A 87 THR H 1.0 . . . 72 72 A 88 VAL N A 88 VAL H 1.0 . . . 73 73 A 89 THR N A 89 THR H 1.0 . . . 74 74 A 90 ILE N A 90 ILE H 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 4 VAL N A 4 VAL H 1.0 . . . 2 2 A 7 VAL N A 7 VAL H 1.0 . . . 3 3 A 8 ASP N A 8 ASP H 1.0 . . . 4 4 A 10 ARG N A 10 ARG H 1.0 . . . 5 5 A 11 GLU N A 11 GLU H 1.0 . . . 6 6 A 12 HIS N A 12 HIS H 1.0 . . . 7 7 A 13 VAL N A 13 VAL H 1.0 . . . 8 8 A 14 PHE N A 14 PHE H 1.0 . . . 9 9 A 15 VAL N A 15 VAL H 1.0 . . . 10 10 A 16 HIS N A 16 HIS H 1.0 . . . 11 11 A 17 ALA N A 17 ALA H 1.0 . . . 12 12 A 18 ILE N A 18 ILE H 1.0 . . . 13 13 A 19 THR N A 19 THR H 1.0 . . . 14 14 A 21 GLU N A 21 GLU H 1.0 . . . 15 15 A 23 VAL N A 23 VAL H 1.0 . . . 16 16 A 24 MET N A 24 MET H 1.0 . . . 17 17 A 25 LEU N A 25 LEU H 1.0 . . . 18 18 A 26 ALA N A 26 ALA H 1.0 . . . 19 19 A 27 CYS N A 27 CYS H 1.0 . . . 20 20 A 28 GLU N A 28 GLU H 1.0 . . . 21 21 A 29 VAL N A 29 VAL H 1.0 . . . 22 22 A 30 ASP N A 30 ASP H 1.0 . . . 23 23 A 31 ARG N A 31 ARG H 1.0 . . . 24 24 A 32 GLU N A 32 GLU H 1.0 . . . 25 25 A 33 ASP N A 33 ASP H 1.0 . . . 26 26 A 34 ALA N A 34 ALA H 1.0 . . . 27 27 A 36 VAL N A 36 VAL H 1.0 . . . 28 28 A 37 ARG N A 37 ARG H 1.0 . . . 29 29 A 39 TYR N A 39 TYR H 1.0 . . . 30 30 A 40 LYS N A 40 LYS H 1.0 . . . 31 31 A 41 ASP N A 41 ASP H 1.0 . . . 32 32 A 42 GLY N A 42 GLY H 1.0 . . . 33 33 A 43 GLN N A 43 GLN H 1.0 . . . 34 34 A 44 GLU N A 44 GLU H 1.0 . . . 35 35 A 45 VAL N A 45 VAL H 1.0 . . . 36 36 A 46 GLU N A 46 GLU H 1.0 . . . 37 37 A 47 GLU N A 47 GLU H 1.0 . . . 38 38 A 48 SER N A 48 SER H 1.0 . . . 39 39 A 49 ASP N A 49 ASP H 1.0 . . . 40 40 A 50 PHE N A 50 PHE H 1.0 . . . 41 41 A 51 VAL N A 51 VAL H 1.0 . . . 42 42 A 52 VAL N A 52 VAL H 1.0 . . . 43 43 A 53 LEU N A 53 LEU H 1.0 . . . 44 44 A 54 GLU N A 54 GLU H 1.0 . . . 45 45 A 55 ASN N A 55 ASN H 1.0 . . . 46 46 A 56 GLU N A 56 GLU H 1.0 . . . 47 47 A 57 GLY N A 57 GLY H 1.0 . . . 48 48 A 59 HIS N A 59 HIS H 1.0 . . . 49 49 A 60 ARG N A 60 ARG H 1.0 . . . 50 50 A 62 LEU N A 62 LEU H 1.0 . . . 51 51 A 63 VAL N A 63 VAL H 1.0 . . . 52 52 A 64 LEU N A 64 LEU H 1.0 . . . 53 53 A 66 ALA N A 66 ALA H 1.0 . . . 54 54 A 67 THR N A 67 THR H 1.0 . . . 55 55 A 70 SER N A 70 SER H 1.0 . . . 56 56 A 71 ASP N A 71 ASP H 1.0 . . . 57 57 A 72 GLY N A 72 GLY H 1.0 . . . 58 58 A 73 GLY N A 73 GLY H 1.0 . . . 59 59 A 74 GLU N A 74 GLU H 1.0 . . . 60 60 A 75 PHE N A 75 PHE H 1.0 . . . 61 61 A 76 GLN N A 76 GLN H 1.0 . . . 62 62 A 77 CYS N A 77 CYS H 1.0 . . . 63 63 A 78 VAL N A 78 VAL H 1.0 . . . 64 64 A 79 ALA N A 79 ALA H 1.0 . . . 65 65 A 82 GLU N A 82 GLU H 1.0 . . . 66 66 A 83 CYS N A 83 CYS H 1.0 . . . 67 67 A 84 ALA N A 84 ALA H 1.0 . . . 68 68 A 85 TYR N A 85 TYR H 1.0 . . . 69 69 A 86 PHE N A 86 PHE H 1.0 . . . 70 70 A 87 THR N A 87 THR H 1.0 . . . 71 71 A 88 VAL N A 88 VAL H 1.0 . . . 72 72 A 89 THR N A 89 THR H 1.0 . . . 73 73 A 90 ILE N A 90 ILE H 1.0 . . . stop_ save_